 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_wB97XD-def2SVPDr.in
 Output=07_transpinane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/07_transpinane_STD/Gau-226334.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    226335.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=07_transpinane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:48:50 2021, MaxMem= 17179869184 cpu:               1.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 19:48:50 2021, MaxMem= 17179869184 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Thu Jul 22 19:48:51 2021, MaxMem= 17179869184 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   364 symmetry adapted cartesian basis functions of A   symmetry.
 There are   344 symmetry adapted basis functions of A   symmetry.
   344 basis functions,   500 primitive gaussians,   364 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0245504792 Hartrees.
 Nuclear repulsion after empirical dispersion term =      595.1463055390 Hartrees.
 Leave Link  301 at Thu Jul 22 19:48:52 2021, MaxMem= 17179869184 cpu:              10.7 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   344 RedAO= T EigKep=  1.29D-05  NBF=   344
 NBsUse=   344 1.00D-06 EigRej= -1.00D+00 NBFU=   344
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   364   364   364   364   364 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Thu Jul 22 19:48:54 2021, MaxMem= 17179869184 cpu:              10.5 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:48:55 2021, MaxMem= 17179869184 cpu:               4.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:48:59 2021, MaxMem= 17179869184 cpu:              29.1 elap:               4.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179596104 LenY= 17179463167
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.519729451911    
 DIIS: error= 3.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.519729451911     IErMin= 1 ErrMin= 3.22D-03
 ErrMax= 3.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-03 BMatP= 9.82D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.50D-03 MaxDP=1.23D+00              OVMax= 1.14D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.54D-03    CP:  1.19D+00
 E= -391.527809676221     Delta-E=       -0.008080224310 Rises=F Damp=F
 DIIS: error= 5.04D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.527809676221     IErMin= 2 ErrMin= 5.04D-04
 ErrMax= 5.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-04 BMatP= 9.82D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.04D-03
 Coeff-Com: -0.501D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.499D-01 0.105D+01
 Gap=     0.432 Goal=   None    Shift=    0.000
 RMSDP=1.32D-03 MaxDP=2.01D-01 DE=-8.08D-03 OVMax= 4.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.92D-04    CP:  1.22D+00  1.12D+00
 E= -391.528055706950     Delta-E=       -0.000246030729 Rises=F Damp=F
 DIIS: error= 2.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -391.528055706950     IErMin= 3 ErrMin= 2.32D-04
 ErrMax= 2.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.11D-05 BMatP= 1.49D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.32D-03
 Coeff-Com: -0.343D-01 0.367D+00 0.667D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.342D-01 0.366D+00 0.668D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=9.97D-05 MaxDP=5.22D-03 DE=-2.46D-04 OVMax= 1.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.82D-05    CP:  1.22D+00  1.12D+00  1.05D+00
 E= -391.528104834437     Delta-E=       -0.000049127486 Rises=F Damp=F
 DIIS: error= 9.16D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.528104834437     IErMin= 4 ErrMin= 9.16D-05
 ErrMax= 9.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-06 BMatP= 5.11D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.388D-02-0.116D-01 0.168D+00 0.847D+00
 Coeff:     -0.388D-02-0.116D-01 0.168D+00 0.847D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=5.68D-05 MaxDP=4.18D-03 DE=-4.91D-05 OVMax= 5.74D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.25D-05    CP:  1.22D+00  1.12D+00  1.08D+00  7.96D-01
 E= -391.528108976529     Delta-E=       -0.000004142093 Rises=F Damp=F
 DIIS: error= 2.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.528108976529     IErMin= 5 ErrMin= 2.69D-05
 ErrMax= 2.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-07 BMatP= 3.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-02-0.310D-01 0.530D-03 0.298D+00 0.732D+00
 Coeff:      0.112D-02-0.310D-01 0.530D-03 0.298D+00 0.732D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=3.96D-04 DE=-4.14D-06 OVMax= 1.32D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.81D-06    CP:  1.22D+00  1.12D+00  1.10D+00  8.66D-01  7.99D-01
 E= -391.528109466267     Delta-E=       -0.000000489738 Rises=F Damp=F
 DIIS: error= 4.99D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.528109466267     IErMin= 6 ErrMin= 4.99D-06
 ErrMax= 4.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-08 BMatP= 4.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.648D-03-0.103D-01-0.117D-01 0.526D-01 0.260D+00 0.709D+00
 Coeff:      0.648D-03-0.103D-01-0.117D-01 0.526D-01 0.260D+00 0.709D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=4.70D-04 DE=-4.90D-07 OVMax= 4.07D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.12D-06    CP:  1.22D+00  1.12D+00  1.10D+00  8.64D-01  8.36D-01
                    CP:  1.00D+00
 E= -391.528109499022     Delta-E=       -0.000000032755 Rises=F Damp=F
 DIIS: error= 6.90D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.528109499022     IErMin= 7 ErrMin= 6.90D-07
 ErrMax= 6.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-10 BMatP= 3.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-05 0.756D-03-0.137D-02-0.108D-01-0.172D-01 0.650D-01
 Coeff-Com:  0.964D+00
 Coeff:     -0.187D-05 0.756D-03-0.137D-02-0.108D-01-0.172D-01 0.650D-01
 Coeff:      0.964D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=1.31D-04 DE=-3.28D-08 OVMax= 1.51D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.10D-07    CP:  1.22D+00  1.12D+00  1.09D+00  8.62D-01  8.41D-01
                    CP:  1.06D+00  1.13D+00
 E= -391.528109500258     Delta-E=       -0.000000001236 Rises=F Damp=F
 DIIS: error= 2.00D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.528109500258     IErMin= 8 ErrMin= 2.00D-07
 ErrMax= 2.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.99D-11 BMatP= 6.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.419D-04 0.880D-03 0.329D-03-0.640D-02-0.210D-01-0.296D-01
 Coeff-Com:  0.244D+00 0.812D+00
 Coeff:     -0.419D-04 0.880D-03 0.329D-03-0.640D-02-0.210D-01-0.296D-01
 Coeff:      0.244D+00 0.812D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=2.83D-07 MaxDP=1.98D-05 DE=-1.24D-09 OVMax= 4.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.62D-07    CP:  1.22D+00  1.12D+00  1.09D+00  8.62D-01  8.41D-01
                    CP:  1.06D+00  1.18D+00  1.14D+00
 E= -391.528109500355     Delta-E=       -0.000000000097 Rises=F Damp=F
 DIIS: error= 7.25D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -391.528109500355     IErMin= 9 ErrMin= 7.25D-08
 ErrMax= 7.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-12 BMatP= 6.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-04 0.248D-03 0.204D-03-0.143D-02-0.562D-02-0.152D-01
 Coeff-Com:  0.185D-02 0.259D+00 0.761D+00
 Coeff:     -0.145D-04 0.248D-03 0.204D-03-0.143D-02-0.562D-02-0.152D-01
 Coeff:      0.185D-02 0.259D+00 0.761D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=6.91D-08 MaxDP=2.46D-06 DE=-9.69D-11 OVMax= 1.15D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.86D-08    CP:  1.22D+00  1.12D+00  1.09D+00  8.61D-01  8.41D-01
                    CP:  1.07D+00  1.20D+00  1.21D+00  1.12D+00
 E= -391.528109500353     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.77D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -391.528109500355     IErMin=10 ErrMin= 1.77D-08
 ErrMax= 1.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-13 BMatP= 8.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-05-0.457D-04-0.813D-05 0.378D-03 0.134D-02 0.113D-02
 Coeff-Com: -0.231D-01-0.437D-01 0.114D+00 0.950D+00
 Coeff:      0.174D-05-0.457D-04-0.813D-05 0.378D-03 0.134D-02 0.113D-02
 Coeff:     -0.231D-01-0.437D-01 0.114D+00 0.950D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=2.91D-08 MaxDP=3.17D-06 DE= 1.59D-12 OVMax= 3.96D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.21D-08    CP:  1.22D+00  1.12D+00  1.09D+00  8.61D-01  8.41D-01
                    CP:  1.07D+00  1.20D+00  1.23D+00  1.19D+00  1.06D+00
 E= -391.528109500354     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 4.54D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -391.528109500355     IErMin=11 ErrMin= 4.54D-09
 ErrMax= 4.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-14 BMatP= 3.49D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.775D-06-0.169D-04-0.710D-05 0.120D-03 0.444D-03 0.747D-03
 Coeff-Com: -0.491D-02-0.173D-01 0.160D-02 0.203D+00 0.816D+00
 Coeff:      0.775D-06-0.169D-04-0.710D-05 0.120D-03 0.444D-03 0.747D-03
 Coeff:     -0.491D-02-0.173D-01 0.160D-02 0.203D+00 0.816D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=3.57D-09 MaxDP=1.65D-07 DE=-1.02D-12 OVMax= 5.35D-08

 SCF Done:  E(RwB97XD) =  -391.528109500     A.U. after   11 cycles
            NFock= 11  Conv=0.36D-08     -V/T= 2.0131
 KE= 3.864629241226D+02 PE=-2.093529500436D+03 EE= 7.203921612745D+02
 Leave Link  502 at Thu Jul 22 19:50:25 2021, MaxMem= 17179869184 cpu:            1017.1 elap:              86.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   344
 NBasis=   344 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    344 NOA=    39 NOB=    39 NVA=   305 NVB=   305

 **** Warning!!: The largest alpha MO coefficient is  0.49659683D+02

 Leave Link  801 at Thu Jul 22 19:50:26 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8471 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.98D-13 8.33D-09 XBig12= 1.00D+00 1.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.98D-13 8.33D-09 XBig12= 1.22D-01 4.29D-02.
     11 vectors produced by pass  2 Test12= 1.98D-13 8.33D-09 XBig12= 1.81D-02 1.52D-02.
     11 vectors produced by pass  3 Test12= 1.98D-13 8.33D-09 XBig12= 1.59D-03 7.47D-03.
     11 vectors produced by pass  4 Test12= 1.98D-13 8.33D-09 XBig12= 1.30D-04 2.21D-03.
     11 vectors produced by pass  5 Test12= 1.98D-13 8.33D-09 XBig12= 8.62D-06 4.81D-04.
     11 vectors produced by pass  6 Test12= 1.98D-13 8.33D-09 XBig12= 2.21D-07 8.90D-05.
     11 vectors produced by pass  7 Test12= 1.98D-13 8.33D-09 XBig12= 7.39D-09 1.17D-05.
     11 vectors produced by pass  8 Test12= 1.98D-13 8.33D-09 XBig12= 1.71D-10 1.60D-06.
      9 vectors produced by pass  9 Test12= 1.98D-13 8.33D-09 XBig12= 3.25D-12 1.98D-07.
      6 vectors produced by pass 10 Test12= 1.98D-13 8.33D-09 XBig12= 5.50D-14 3.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.124237D+03
      2 -0.824942D-01  0.111154D+03
      3  0.609555D+00 -0.286800D-01  0.107250D+03
 Isotropic polarizability for W=    0.093368      114.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.439529D+01 -0.208484D+02  0.108801D+02
      2  -0.648711D+01  0.107256D+02 -0.380200D+01
      3   0.108824D+02  0.101228D+02 -0.707811D+01
      4  -0.284265D+02 -0.978603D+01  0.285209D+01
      5   0.178385D+02  0.191786D+01  0.159367D+02
      6   0.988993D+00  0.432328D+01 -0.413960D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.231139D+01  0.110298D+01  0.256266D+01
      2   0.288697D+01 -0.710088D+00  0.606205D+01
      3   0.412237D+01  0.284358D+01 -0.163363D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.934227D+00  0.812527D+01  0.142624D+02
      2  -0.695838D+01  0.186310D+01  0.505434D+01
      3  -0.757804D+01  0.329891D+01 -0.928868D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.140542D+01 -0.851626D+00 -0.835712D+00
      2  -0.851626D+00  0.804654D+00 -0.118225D+01
      3  -0.835712D+00 -0.118225D+01  0.568435D+00
 OR G Eigenvalues:    -2.2283     0.3194     1.8765  Iso=     0.0108
 Eigenvectors:
   (1)   0.823068   0.391497   0.411448
   (2)  -0.567334   0.533225   0.627537
   (3)  -0.026285   0.749934  -0.660991
 w=    0.093368 a.u., Optical Rotation Beta=      0.0108 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =        4.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   59340 ScalPx= 2.06D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.62D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.30D-14 2.78D-09 XBig12= 1.00D+00 3.12D-01.
     30 vectors produced by pass  1 Test12= 3.30D-14 2.78D-09 XBig12= 3.61D-02 1.76D-02.
     30 vectors produced by pass  2 Test12= 3.30D-14 2.78D-09 XBig12= 3.02D-03 6.16D-03.
     30 vectors produced by pass  3 Test12= 3.30D-14 2.78D-09 XBig12= 5.46D-05 7.40D-04.
     30 vectors produced by pass  4 Test12= 3.30D-14 2.78D-09 XBig12= 1.24D-06 1.28D-04.
     30 vectors produced by pass  5 Test12= 3.30D-14 2.78D-09 XBig12= 1.32D-08 1.08D-05.
     30 vectors produced by pass  6 Test12= 3.30D-14 2.78D-09 XBig12= 1.09D-10 8.27D-07.
     30 vectors produced by pass  7 Test12= 3.30D-14 2.78D-09 XBig12= 8.49D-13 7.95D-08.
      7 vectors produced by pass  8 Test12= 3.30D-14 2.78D-09 XBig12= 7.00D-15 6.88D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 2.45D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 2.45D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.19D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124237D+03 -0.824942D-01  0.609555D+00
      2  -0.824942D-01  0.111154D+03 -0.286800D-01
      3   0.609555D+00 -0.286800D-01  0.107250D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.231139D+01  0.110298D+01  0.256266D+01
      2   0.288697D+01 -0.710088D+00  0.606205D+01
      3   0.412237D+01  0.284358D+01 -0.163363D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439529D+01 -0.208484D+02  0.108801D+02
      2  -0.648711D+01  0.107256D+02 -0.380200D+01
      3   0.108824D+02  0.101228D+02 -0.707811D+01
      4  -0.284265D+02 -0.978603D+01  0.285209D+01
      5   0.178385D+02  0.191786D+01  0.159367D+02
      6   0.988993D+00  0.432328D+01 -0.413960D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.932739D+00 -0.263576D+01  0.117899D+01 -0.309809D+01  0.643392D-01
      2  -0.263576D+01 -0.430132D+00  0.117041D+01  0.643392D-01  0.301317D+01
      3   0.117899D+01  0.117041D+01  0.282198D+01  0.161047D+01 -0.124860D+01
                 6             7             8             9            10 
      1   0.161047D+01  0.968695D+00  0.195749D+01  0.407852D+01 -0.216424D+00
      2  -0.124860D+01  0.195749D+01 -0.190833D+01 -0.204366D+01  0.336403D+01
      3  -0.153748D+01  0.407852D+01 -0.204366D+01 -0.168232D+00  0.151144D+01
                11            12            13            14            15 
      1   0.336403D+01  0.151144D+01  0.413430D+01  0.647704D+00  0.116561D+00
      2   0.130092D+01 -0.149526D+00  0.647704D+00 -0.495365D+01  0.558067D+00
      3  -0.149526D+00 -0.201383D+01  0.116561D+00  0.558067D+00  0.107191D+01
                16            17            18            19            20 
      1   0.245864D+01  0.442876D-01 -0.222752D+01  0.799460D+00  0.169645D+01
      2   0.442876D-01  0.147173D+01  0.124399D+01  0.169645D+01  0.563825D+00
      3  -0.222752D+01  0.124399D+01 -0.590264D+01 -0.724758D+00 -0.320787D+01
                21            22            23            24            25 
      1  -0.724758D+00  0.209092D+01  0.476231D+00 -0.303636D+01 -0.606241D+00
      2  -0.320787D+01  0.476231D+00 -0.353538D+01  0.140925D+01 -0.370249D+01
      3  -0.668778D+00 -0.303636D+01  0.140925D+01 -0.242919D+01 -0.847222D+00
                26            27            28            29            30 
      1  -0.370249D+01 -0.847222D+00 -0.238547D+01 -0.219099D+01  0.683652D+00
      2   0.189771D+01 -0.372713D+01 -0.219099D+01 -0.177780D+01  0.444521D+01
      3  -0.372713D+01 -0.418462D+00  0.683652D+00  0.444521D+01 -0.130051D+01
                31            32            33            34            35 
      1  -0.249350D+01 -0.161202D+01  0.450307D+01  0.791996D+00  0.514027D+01
      2  -0.161202D+01  0.151976D+01  0.533347D+00  0.514027D+01 -0.538910D+00
      3   0.450307D+01  0.533347D+00  0.256972D+01 -0.145093D+01  0.217027D+01
                36            37            38            39            40 
      1  -0.145093D+01  0.446166D+01  0.454108D+01  0.315766D+01  0.540246D+01
      2   0.217027D+01  0.454108D+01  0.137876D+01 -0.150500D+01  0.237752D+01
      3  -0.834252D+00  0.315766D+01 -0.150500D+01  0.575907D+00 -0.211457D+01
                41            42            43            44            45 
      1   0.237752D+01 -0.211457D+01  0.411969D+01 -0.201062D+01  0.227303D+00
      2  -0.291417D+01  0.288622D+01 -0.201062D+01  0.392523D+01 -0.256060D+01
      3   0.288622D+01 -0.241574D+01  0.227303D+00 -0.256060D+01 -0.199979D+01
                46            47            48            49            50 
      1  -0.356741D+01 -0.312139D+01 -0.281761D+01 -0.359807D+01 -0.175930D+00
      2  -0.312139D+01 -0.314822D+00 -0.248561D+00 -0.175930D+00  0.815947D+01
      3  -0.281761D+01 -0.248561D+00 -0.114536D+01 -0.133743D+00 -0.795211D+00
                51            52            53            54            55 
      1  -0.133743D+00 -0.516860D+01 -0.456690D+00 -0.231313D+00  0.146071D+01
      2  -0.795211D+00 -0.456690D+00 -0.631542D+00 -0.200544D+01 -0.257788D+00
      3  -0.250443D+01 -0.231313D+00 -0.200544D+01  0.371607D+01  0.319898D+01
                56            57            58            59            60 
      1  -0.257788D+00  0.319898D+01 -0.462027D+00 -0.185571D+01 -0.320545D+01
      2  -0.169509D+01 -0.335755D+01 -0.185571D+01 -0.151447D+01 -0.175512D+01
      3  -0.335755D+01  0.575351D+00 -0.320545D+01 -0.175512D+01  0.246722D+01
                61            62            63            64            65 
      1   0.278466D+01 -0.250701D+01  0.484595D+00 -0.286902D+01  0.170955D+01
      2  -0.250701D+01 -0.130557D+01  0.198491D+01  0.170955D+01 -0.126735D+01
      3   0.484595D+00  0.198491D+01 -0.650835D+00  0.170212D+01 -0.104292D+01
                66            67            68            69            70 
      1   0.170212D+01  0.177895D+01 -0.158756D+01 -0.117965D+01  0.292405D+01
      2  -0.104292D+01 -0.158756D+01  0.230787D+01  0.187161D+01 -0.172237D+01
      3  -0.186096D+01 -0.117965D+01  0.187161D+01  0.167380D+01 -0.295432D+01
                71            72            73            74            75 
      1  -0.172237D+01 -0.295432D+01  0.153757D+01 -0.380439D+01 -0.268831D+01
      2   0.261574D+01  0.231524D+01 -0.380439D+01 -0.176158D+01  0.629947D+00
      3   0.231524D+01  0.408203D+01 -0.268831D+01  0.629947D+00  0.232672D+01
                76            77            78            79            80 
      1  -0.512438D+01 -0.495790D+00  0.541730D+00 -0.354535D+01  0.235135D+00
      2  -0.495790D+00  0.613394D+01 -0.202004D+01  0.235135D+00 -0.221713D+01
      3   0.541730D+00 -0.202004D+01 -0.511015D+00  0.296009D+01 -0.669559D-01
                81            82            83            84            85 
      1   0.296009D+01  0.703481D+00 -0.616581D+00  0.103596D+01 -0.914528D+00
      2  -0.669559D-01 -0.616581D+00 -0.158859D+00 -0.231646D-01 -0.226443D+00
      3   0.471510D+01  0.103596D+01 -0.231646D-01  0.684557D+00  0.118111D+00
                86            87            88            89            90 
      1  -0.226443D+00  0.118111D+00  0.197625D+01  0.268315D+00  0.407845D+00
      2  -0.357148D+00  0.112351D+01  0.268315D+00  0.121813D+01 -0.121593D+01
      3   0.112351D+01 -0.109179D+01  0.407845D+00 -0.121593D+01  0.766562D+01
                91            92            93            94            95 
      1   0.561454D+01  0.290127D+01 -0.238378D+01  0.242893D+01  0.218807D+01
      2   0.290127D+01  0.277607D+01 -0.185609D+01  0.218807D+01  0.352515D+01
      3  -0.238378D+01 -0.185609D+01  0.217031D+01 -0.159010D+01 -0.159087D+01
                96            97            98            99           100 
      1  -0.159010D+01 -0.195372D+01 -0.160432D+01  0.211441D+01 -0.160263D+01
      2  -0.159087D+01 -0.160432D+01 -0.144750D+01  0.153119D+01 -0.448349D+01
      3   0.125674D+01  0.211441D+01  0.153119D+01 -0.246009D+01 -0.298913D+01
               101           102           103           104           105 
      1  -0.448349D+01 -0.298913D+01 -0.493880D+01 -0.175443D+01  0.116155D+01
      2  -0.115931D+01  0.909938D+00 -0.175443D+01  0.127470D+01 -0.389774D+01
      3   0.909938D+00  0.541983D+00  0.116155D+01 -0.389774D+01  0.277266D+01
               106           107           108           109           110 
      1  -0.271598D+01  0.143371D+01  0.504744D+00 -0.206159D+01 -0.444354D+01
      2   0.143371D+01 -0.320164D+01  0.256768D+01 -0.444354D+01 -0.881313D+00
      3   0.504744D+00  0.256768D+01  0.156945D+01 -0.208105D+01  0.119786D+01
               111           112           113           114           115 
      1  -0.208105D+01 -0.531466D+01 -0.236475D+01  0.149791D+01 -0.225665D+01
      2   0.119786D+01 -0.236475D+01  0.305259D+01 -0.259267D+01  0.137497D+01
      3   0.331970D+00  0.149791D+01 -0.259267D+01  0.271386D+01 -0.410747D+00
               116           117           118           119           120 
      1   0.137497D+01 -0.410747D+00  0.817481D-01 -0.108142D+01  0.493577D+00
      2  -0.298006D+01  0.320508D+01 -0.108142D+01  0.433674D+00 -0.768731D-01
      3   0.320508D+01  0.416554D+01  0.493577D+00 -0.768731D-01  0.898636D-01
               121           122           123           124           125 
      1  -0.161585D+01 -0.305114D+00  0.115918D+00  0.802514D+00  0.101855D+00
      2  -0.305114D+00 -0.103846D+02  0.113969D+00  0.101855D+00  0.307798D+00
      3   0.115918D+00  0.113969D+00 -0.882162D+00 -0.988951D-01 -0.107826D+01
               126           127           128           129           130 
      1  -0.988951D-01  0.190325D+01 -0.945918D+00 -0.208546D+01 -0.106519D+01
      2  -0.107826D+01 -0.945918D+00  0.127075D+01  0.125348D+01  0.104432D+01
      3  -0.111024D+00 -0.208546D+01  0.125348D+01  0.270331D+01  0.115751D+01
               131           132           133           134           135 
      1   0.104432D+01  0.115751D+01 -0.191392D+01  0.948873D+00  0.193241D+01
      2  -0.175062D+01 -0.165655D+01  0.948873D+00 -0.153449D+01 -0.219951D+01
      3  -0.165655D+01 -0.276738D+01  0.193241D+01 -0.219951D+01 -0.576422D+01
               136           137           138           139           140 
      1  -0.479465D+01  0.357509D+00 -0.304742D+01  0.864347D+00 -0.663801D+00
      2   0.357509D+00 -0.840222D+00  0.644188D+00 -0.663801D+00  0.700355D+00
      3  -0.304742D+01  0.644188D+00 -0.370233D+01  0.969044D+00 -0.692986D+00
               141           142           143           144           145 
      1   0.969044D+00 -0.225473D+01  0.495487D+00 -0.225775D+01 -0.374633D+01
      2  -0.692986D+00  0.495487D+00 -0.510743D+00  0.123897D+00  0.165572D+01
      3   0.843288D+00 -0.225775D+01  0.123897D+00 -0.392680D+01  0.108101D+01
               146           147           148           149           150 
      1   0.165572D+01  0.108101D+01  0.196994D+01 -0.803363D+00 -0.735342D+00
      2  -0.120043D+01 -0.101570D+01 -0.803363D+00  0.140819D+01  0.164869D+01
      3  -0.101570D+01 -0.251553D+01 -0.735342D+00  0.164869D+01  0.130025D+01
               151           152           153           154           155 
      1   0.125261D+01 -0.836432D+00 -0.126953D+01  0.626133D+01  0.285039D+01
      2  -0.836432D+00  0.144148D+01  0.738278D+00  0.285039D+01  0.225717D+01
      3  -0.126953D+01  0.738278D+00  0.221434D+01  0.254027D+01  0.101548D+01
               156           157           158           159           160 
      1   0.254027D+01  0.349773D+01  0.238672D+01  0.123612D+01  0.832945D+00
      2   0.101548D+01  0.238672D+01  0.244089D+01  0.155351D+01  0.307968D+00
      3   0.229949D+01  0.123612D+01  0.155351D+01  0.123750D+01  0.113761D+01
               161           162           163           164           165 
      1   0.307968D+00  0.113761D+01  0.975920D+00 -0.363989D+00  0.127468D+01
      2   0.608929D+00  0.499708D+00 -0.363989D+00  0.586773D+00 -0.413249D+00
      3   0.499708D+00  0.801731D+00  0.127468D+01 -0.413249D+00  0.754383D+00
               166           167           168           169           170 
      1  -0.117357D+01  0.124846D+01 -0.132671D+01  0.117839D+01 -0.702439D+00
      2   0.124846D+01 -0.398206D+01  0.312944D+01 -0.702439D+00  0.210318D+01
      3  -0.132671D+01  0.312944D+01 -0.448598D+01  0.109953D+01 -0.250838D+01
               171           172           173           174           175 
      1   0.109953D+01  0.473220D+00  0.171275D+00 -0.588577D+00 -0.709140D-01
      2  -0.250838D+01  0.171275D+00  0.582450D-01  0.742927D-01  0.728924D+00
      3   0.438168D+01 -0.588577D+00  0.742927D-01  0.388388D+00  0.252390D+00
               176           177           178           179           180 
      1   0.728924D+00  0.252390D+00 -0.197268D+01  0.768157D+00  0.141120D+01
      2  -0.154060D+01 -0.107543D+01  0.768157D+00 -0.156317D+01 -0.218580D+01
      3  -0.107543D+01 -0.181474D+01  0.141120D+01 -0.218580D+01 -0.621716D+01
               181           182           183           184           185 
      1   0.145470D+01 -0.841302D+00  0.761365D+00 -0.210212D+01  0.288770D+01
      2  -0.841302D+00  0.885410D+00 -0.469866D+00  0.288770D+01 -0.632424D+01
      3   0.761365D+00 -0.469866D+00  0.245159D+00 -0.932867D+00  0.217273D+01
               186           187           188           189           190 
      1  -0.932867D+00  0.213496D+01 -0.155707D+01  0.102585D+01  0.874040D+01
      2   0.217273D+01 -0.155707D+01  0.309569D+01 -0.203689D+01  0.195939D+01
      3  -0.196758D+01  0.102585D+01 -0.203689D+01  0.167663D+01  0.290835D+00
               191           192           193           194           195 
      1   0.195939D+01  0.290835D+00  0.502817D+01  0.194778D+01 -0.938337D-01
      2   0.155613D+01  0.971350D-02  0.194778D+01  0.147643D+01  0.349916D+00
      3   0.971350D-02  0.873048D+00 -0.938337D-01  0.349916D+00  0.569476D+00
               196           197           198           199           200 
      1   0.921274D+00 -0.962637D-01  0.108894D+01 -0.443371D+01  0.100114D+01
      2  -0.962637D-01  0.507201D+00  0.442746D-01  0.100114D+01 -0.121343D+01
      3   0.108894D+01  0.442746D-01 -0.836128D-01 -0.209850D+01  0.383587D+00
               201           202           203           204           205 
      1  -0.209850D+01  0.602494D+00 -0.804894D+00  0.114220D+00 -0.348204D+01
      2   0.383587D+00 -0.804894D+00  0.530727D-01 -0.462229D+00  0.310915D+00
      3  -0.174492D+01  0.114220D+00 -0.462229D+00  0.362891D+00 -0.211986D+01
               206           207           208           209           210 
      1   0.310915D+00 -0.211986D+01 -0.124776D+01  0.128652D+01 -0.690851D+00
      2  -0.135295D+01  0.875646D+00  0.128652D+01 -0.171460D+01  0.101788D+01
      3   0.875646D+00 -0.254021D+01 -0.690851D+00  0.101788D+01 -0.431292D+00
               211           212           213           214           215 
      1   0.101471D+01 -0.128994D+01  0.729824D+00 -0.114742D+01  0.124851D+01
      2  -0.128994D+01  0.742538D+01 -0.299183D+01  0.124851D+01 -0.472436D+01
      3   0.729824D+00 -0.299183D+01  0.216686D+01 -0.487769D+00  0.332768D+01
               216           217           218           219           220 
      1  -0.487769D+00  0.168605D+01  0.928156D+00  0.114004D+01  0.827854D+00
      2   0.332768D+01  0.928156D+00  0.186341D+01  0.120016D+01  0.100284D+01
      3  -0.295303D+01  0.114004D+01  0.120016D+01  0.120080D+01  0.866681D+00
               221           222           223           224           225 
      1   0.100284D+01  0.866681D+00  0.155764D+01  0.114615D+01  0.115184D+01
      2   0.428219D+01  0.170816D+01  0.114615D+01  0.302100D+01  0.271995D+01
      3   0.170816D+01  0.188694D+01  0.115184D+01  0.271995D+01  0.325980D+01
               226           227           228           229           230 
      1  -0.133517D+01  0.201307D+00 -0.983242D+00  0.814415D+00 -0.224552D+00
      2   0.201307D+00 -0.325797D-01 -0.230313D+00 -0.224552D+00 -0.594549D+00
      3  -0.983242D+00 -0.230313D+00 -0.129575D+01 -0.107547D+00 -0.583324D+00
               231           232           233           234           235 
      1  -0.107547D+00 -0.285073D+01 -0.935617D+00 -0.222738D+01 -0.875745D+01
      2  -0.583324D+00 -0.935617D+00 -0.143168D+01 -0.636599D+00  0.644730D+00
      3   0.594911D-01 -0.222738D+01 -0.636599D+00 -0.616005D+01  0.270993D+01
               236           237           238           239           240 
      1   0.644730D+00  0.270993D+01  0.321600D+01 -0.938926D+00 -0.800681D+00
      2  -0.103797D+01 -0.282416D+00 -0.938926D+00  0.359316D+00  0.696750D+00
      3  -0.282416D+00 -0.185706D+01 -0.800681D+00  0.696750D+00  0.786227D+00
               241           242           243           244           245 
      1   0.408247D+01 -0.761765D-01 -0.242760D+01 -0.691427D-01 -0.481955D+00
      2  -0.761765D-01  0.110547D+01  0.224269D+00 -0.481955D+00  0.554366D+00
      3  -0.242760D+01  0.224269D+00  0.145889D+01  0.418185D+00 -0.730453D-01
               246           247           248           249           250 
      1   0.418185D+00 -0.169953D+01 -0.189739D+01  0.265744D+00  0.108129D+01
      2  -0.730453D-01 -0.189739D+01 -0.928097D+01  0.160742D+01  0.425401D+00
      3  -0.469094D-01  0.265744D+00  0.160742D+01 -0.133137D+01 -0.614027D+00
               251           252 
      1   0.425401D+00 -0.614027D+00
      2   0.202878D+01 -0.130692D+01
      3  -0.130692D+01  0.483546D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.461199D+01 -0.328745D+01 -0.328159D+01 -0.354341D+01  0.631366D+01
      2  -0.328417D+01 -0.205898D+01 -0.596273D+01 -0.245982D+01  0.292679D+01
      3  -0.758464D+01 -0.952798D+01  0.589277D+01 -0.294403D+01  0.660974D+01
                 6             7             8             9            10 
      1   0.564578D+00 -0.417586D+01  0.549246D+01 -0.511324D+00  0.421366D+01
      2   0.370773D+01 -0.138413D+02  0.454383D+01 -0.290567D+00 -0.339213D+01
      3  -0.160441D+00  0.723761D+01 -0.480816D+00  0.699835D+00  0.769209D+01
                11            12            13            14            15 
      1   0.227657D+01 -0.142206D+01  0.185126D+01 -0.377589D+01 -0.984367D+00
      2  -0.123355D+01  0.458390D+01 -0.150097D+01 -0.243345D+01 -0.161974D+01
      3  -0.437238D+01 -0.230898D+01  0.315315D+01 -0.104661D+02  0.138910D+01
                16            17            18            19            20 
      1  -0.425355D+00  0.619875D+01 -0.435490D+01  0.196693D+01  0.972129D+01
      2  -0.130191D+00 -0.224930D+01  0.133993D+02 -0.202032D+01  0.126455D+01
      3  -0.244472D+01  0.278057D+01  0.192037D+01  0.308537D+01  0.417495D+01
                21            22            23            24            25 
      1   0.269086D+01  0.940015D+01 -0.292955D+01  0.501596D+01  0.425502D+01
      2   0.214548D+01  0.143814D+01  0.477535D-01 -0.551340D+00 -0.229066D+01
      3  -0.242810D+01  0.105332D+02  0.105011D+00 -0.774004D+01 -0.292484D+01
                26            27            28            29            30 
      1   0.127995D+02  0.352561D+01  0.758260D+00 -0.718727D+01 -0.480986D+01
      2  -0.149736D+01  0.137743D+01 -0.428859D+00  0.373377D+01  0.189650D+01
      3  -0.846540D+01 -0.261400D+01  0.169376D+01 -0.576907D+01 -0.186092D+01
                31            32            33            34            35 
      1  -0.681588D+01 -0.271981D+01 -0.741128D+01 -0.367239D+01 -0.528920D+00
      2   0.334609D+01  0.285580D+00  0.781990D+01 -0.489675D+01  0.962835D+01
      3   0.105252D+01 -0.393379D+01  0.580183D+01 -0.410360D+01  0.713462D+01
                36            37            38            39            40 
      1  -0.257699D+01  0.423964D+01  0.353036D+00 -0.469731D-01  0.178823D+01
      2  -0.163253D+01  0.474388D+01 -0.399392D+01  0.397584D+01 -0.580578D+01
      3  -0.348488D+01 -0.107274D+02 -0.962819D+01  0.132103D+01 -0.207795D+01
                41            42            43            44            45 
      1   0.560395D+00 -0.431848D+01 -0.911111D+00  0.480083D+01 -0.335851D+01
      2   0.612389D+01 -0.592637D+01 -0.663241D+01 -0.606006D+01 -0.579990D+01
      3   0.353647D+01 -0.483252D+01  0.127320D+01 -0.761962D+01  0.614683D+01
                46            47            48            49            50 
      1  -0.554808D+01 -0.611587D+00 -0.958198D+00  0.281943D+00  0.169763D+00
      2  -0.179649D+01 -0.102599D+01  0.115593D+01  0.643257D-01  0.392905D+00
      3   0.429609D+01  0.195032D+01  0.314512D+01  0.102785D+02  0.352054D+01
                51            52            53            54            55 
      1  -0.745385D+01 -0.269550D+01 -0.163991D+01  0.872793D+01  0.257506D+01
      2   0.209360D+01 -0.578850D+01 -0.149851D+00 -0.226071D+01  0.451833D+01
      3   0.381578D+00  0.599090D+01  0.171662D+00 -0.592978D+00 -0.475423D+00
                56            57            58            59            60 
      1   0.548834D+01  0.932052D+01  0.247100D+01  0.283934D+01  0.483868D+01
      2  -0.230025D+01  0.123190D+02 -0.213459D+01 -0.670381D+01 -0.976586D+01
      3  -0.171882D+01 -0.214013D+01  0.282500D+01  0.115592D+01  0.150389D+01
                61            62            63            64            65 
      1   0.829083D+01  0.795804D+01 -0.701977D+01 -0.169568D+01  0.339017D+00
      2   0.491857D+01 -0.716165D+01  0.505861D+00 -0.183569D+01  0.155028D+01
      3  -0.127908D+01  0.126202D+01  0.146395D+00 -0.112491D+01 -0.171405D+01
                66            67            68            69            70 
      1   0.286905D+01  0.133074D+01 -0.109230D+01 -0.290482D+01  0.360900D+01
      2   0.460039D+01  0.113889D+01 -0.337982D+01 -0.370028D+01  0.269180D+01
      3   0.220143D+00  0.168574D+01  0.257292D+01  0.146825D+01  0.178842D+01
                71            72            73            74            75 
      1   0.224666D+00 -0.583837D+01 -0.555564D+01 -0.474401D+00  0.351381D+01
      2  -0.389262D+01 -0.800915D+01  0.966725D+01 -0.913850D-01 -0.496943D+01
      3   0.418665D+01  0.154273D+00 -0.156611D+02 -0.151263D+01  0.587093D+01
                76            77            78            79            80 
      1  -0.666647D-01 -0.266281D+01 -0.238732D+01  0.506661D+01  0.162105D+01
      2  -0.266335D+00  0.664673D+01  0.117499D+01 -0.119261D+02 -0.112159D+01
      3   0.912934D+01  0.216984D+02 -0.776901D+01  0.581690D+01 -0.720719D+01
                81            82            83            84            85 
      1   0.710905D+01  0.231602D+00 -0.311187D+00  0.632597D+00 -0.268409D+00
      2  -0.162093D+02 -0.350389D+01  0.277370D+00 -0.174110D+01  0.651936D+00
      3  -0.430400D+01 -0.197395D+01 -0.211338D+00 -0.421998D+00  0.228192D+01
                86            87            88            89            90 
      1   0.389487D+00 -0.594095D+00  0.845244D+00  0.289468D+01  0.436424D+01
      2  -0.152464D+01  0.139900D+01 -0.648435D+01  0.136163D+01 -0.136708D+02
      3   0.452819D+00  0.197604D+01 -0.130401D+01  0.203012D+01 -0.140540D+01
                91            92            93            94            95 
      1  -0.317777D+00 -0.161212D+01 -0.190427D+01 -0.488623D+00 -0.263088D+01
      2   0.419323D+01  0.883597D+00  0.233661D+01  0.172479D+01  0.670893D+00
      3   0.545146D+01 -0.222388D+01 -0.837709D+00  0.296361D+01 -0.175511D+01
                96            97            98            99           100 
      1  -0.161078D+01 -0.962319D+00  0.164221D+01  0.244306D+01 -0.924452D+01
      2   0.895604D+00 -0.159034D+01 -0.340423D+00 -0.145675D+01 -0.210862D+01
      3  -0.317914D+00 -0.177550D+01  0.238066D+00  0.112961D+01  0.817458D+01
               101           102           103           104           105 
      1  -0.199300D+01  0.182070D+01 -0.486611D+01  0.265861D+01 -0.125284D+02
      2   0.112740D+02  0.112928D+02  0.130242D+02 -0.404043D+01  0.284163D+01
      3  -0.547174D+00 -0.261845D+01  0.452655D+01 -0.250080D+01  0.768461D+01
               106           107           108           109           110 
      1   0.356610D+01 -0.579890D+01  0.581861D+01 -0.828513D+00  0.157953D+01
      2   0.542330D+01  0.166003D+01  0.134960D+01 -0.649293D+01  0.238668D+01
      3  -0.339679D+01  0.623140D+01 -0.461150D+01  0.171863D+02  0.747943D+01
               111           112           113           114           115 
      1  -0.286052D+00  0.237999D+01 -0.408869D+01  0.264013D+01 -0.215363D+01
      2   0.167200D+01  0.216392D+01 -0.830068D+01  0.988147D+01 -0.587327D+01
      3  -0.160220D+01  0.160632D+02 -0.815095D+01  0.611228D+01 -0.156599D+01
               116           117           118           119           120 
      1   0.725529D+01  0.524796D+01  0.114042D+01 -0.696235D-01 -0.679705D-01
      2   0.116432D+02  0.147981D+02 -0.407161D+00 -0.169916D+00  0.925083D+00
      3   0.658063D+01 -0.982886D+01 -0.192047D+00  0.116116D-01 -0.572160D+00
               121           122           123           124           125 
      1   0.319601D+00  0.242442D+01 -0.535857D+01  0.160442D+00 -0.449257D+00
      2  -0.936355D-01 -0.608410D+00  0.304098D+00 -0.133759D+01  0.178692D+00
      3   0.698618D+01 -0.132313D+01 -0.113609D+00 -0.139359D+01 -0.231479D+00
               126           127           128           129           130 
      1  -0.543568D-01  0.164556D+01 -0.401992D+01 -0.187496D+01 -0.250571D+01
      2   0.183413D-01  0.605059D+01 -0.239198D+01 -0.331876D+01 -0.353324D+01
      3  -0.492879D-01 -0.121256D+01 -0.622059D+00  0.884882D+00  0.223314D+01
               131           132           133           134           135 
      1   0.406268D+01  0.868593D+00 -0.201124D+01  0.423473D+01  0.243104D+01
      2   0.243105D+01  0.232107D+01 -0.689616D+01  0.239312D+01  0.226785D+01
      3  -0.137867D+00 -0.170520D+00  0.151825D+01  0.530679D+00 -0.476486D+00
               136           137           138           139           140 
      1  -0.166916D+01  0.421053D+01 -0.248026D+01  0.192902D+01 -0.245581D+01
      2  -0.144562D+02  0.957466D+00 -0.413099D+01  0.273541D+01 -0.152143D+01
      3   0.117005D+01 -0.266435D+01  0.113068D+01  0.517640D+00  0.604794D+00
               141           142           143           144           145 
      1   0.920481D-01 -0.167483D+01  0.270699D+01 -0.918444D+00  0.399079D+01
      2   0.191127D+01 -0.677001D+01  0.950617D+00 -0.383673D+01  0.138651D+02
      3  -0.356670D+00  0.337064D+00 -0.164169D+01  0.861690D+00 -0.522576D+01
               146           147           148           149           150 
      1  -0.399625D+01 -0.648716D+00 -0.265282D+01  0.366460D+01  0.170977D+01
      2  -0.576097D+01 -0.446764D+01 -0.693898D+01  0.460986D+01  0.296468D+01
      3   0.144622D+01  0.169204D+01  0.382827D+01 -0.213668D+01 -0.249806D+01
               151           152           153           154           155 
      1  -0.169494D+01  0.414450D+01  0.404973D+00  0.577760D+01  0.539965D+01
      2  -0.687491D+01  0.330351D+01  0.494196D+01 -0.851794D+01 -0.390971D+01
      3   0.227052D+01 -0.171259D+01 -0.144940D+01 -0.233308D+01 -0.546474D+01
               156           157           158           159           160 
      1   0.563816D+00  0.449835D+01  0.513513D+01  0.116113D+01  0.620471D+00
      2   0.180780D+01 -0.579528D+01 -0.184770D+01  0.836362D+00 -0.149109D+01
      3  -0.147720D+01 -0.131879D+01 -0.472389D+01 -0.224777D+01 -0.132744D+00
               161           162           163           164           165 
      1   0.215855D+01  0.837793D+00 -0.673959D+00  0.167033D+01 -0.799012D+00
      2  -0.337118D+00 -0.917012D+00  0.575525D+00 -0.141468D+00 -0.448580D-03
      3  -0.111866D+01 -0.436449D+00  0.536185D+00 -0.177072D+01  0.897021D+00
               166           167           168           169           170 
      1   0.265318D+01 -0.103063D+02  0.452441D+01 -0.186833D+01  0.719316D+01
      2   0.157196D+01  0.314901D+01 -0.593926D+01 -0.254950D+01 -0.264974D+01
      3   0.689808D-02  0.697033D+01 -0.520207D+01  0.495184D+00 -0.407227D+01
               171           172           173           174           175 
      1  -0.537293D+01 -0.984804D+00 -0.108510D-01  0.102598D+00 -0.194426D+00
      2   0.535385D+01 -0.138005D+01  0.526430D+00  0.103893D+01  0.657381D-01
      3   0.436072D+01 -0.578279D+00 -0.936910D+00  0.440195D+00 -0.502003D+00
               176           177           178           179           180 
      1   0.126264D+00 -0.292199D+01  0.499341D+00  0.473338D+00 -0.783307D+01
      2  -0.251502D+01 -0.563351D+01 -0.842445D+00 -0.573777D+01 -0.193184D+02
      3   0.326225D+01  0.276194D+01  0.115455D+01  0.422466D+01  0.537145D+01
               181           182           183           184           185 
      1   0.116531D+01 -0.850869D+00  0.779155D+00 -0.165543D+01  0.344141D+01
      2   0.240093D+01 -0.170563D+01  0.198942D+01 -0.229867D+01  0.715411D+01
      3   0.109748D+01 -0.329852D+01  0.578905D+00 -0.343052D+01  0.159229D+02
               186           187           188           189           190 
      1  -0.569562D+01  0.111389D+01 -0.181503D+01  0.368849D+01 -0.340248D+00
      2  -0.705179D+01  0.151859D+01 -0.579210D+01  0.526210D+01  0.282982D+01
      3  -0.545370D+01  0.684574D+00 -0.789957D+01  0.493892D+01 -0.147678D+02
               191           192           193           194           195 
      1  -0.398917D+00  0.287975D+00 -0.502590D+00 -0.140477D+00 -0.935223D+00
      2   0.933728D+00  0.552934D+01  0.974156D+00  0.169579D+01  0.290904D+01
      3  -0.977958D+01 -0.459317D+00 -0.872868D+01 -0.785088D+01 -0.113301D+01
               196           197           198           199           200 
      1   0.850564D+00  0.459156D+00 -0.230022D+00  0.346333D+01  0.340456D+00
      2   0.194556D+01  0.155405D-01  0.606122D-01  0.477238D+01 -0.934932D+00
      3  -0.334914D+00 -0.181130D+01 -0.995254D+00 -0.444440D+01 -0.337866D+01
               201           202           203           204           205 
      1   0.289966D+01 -0.105310D+00  0.497752D+00 -0.154665D+01  0.272434D+01
      2   0.629590D+01 -0.222250D+00  0.123502D+01 -0.828101D+00  0.352851D+01
      3  -0.235577D+01  0.389651D+00 -0.184445D+01 -0.693369D+00 -0.473197D+01
               206           207           208           209           210 
      1   0.424345D-01  0.462836D+01  0.107344D+01 -0.237476D+01  0.139332D+01
      2  -0.172481D+01  0.752256D+01 -0.734873D+00  0.284011D+00  0.105926D+01
      3  -0.369519D+01 -0.133275D+01 -0.329583D+01  0.940506D+00 -0.131391D+01
               211           212           213           214           215 
      1  -0.146692D+01  0.439367D+01 -0.699080D+01  0.203017D+00 -0.461600D+01
      2   0.100282D+01  0.161239D+00 -0.856552D+00 -0.187678D+01 -0.141676D+00
      3   0.438157D+01 -0.664443D+00  0.883243D+00 -0.402607D+01  0.121186D+01
               216           217           218           219           220 
      1   0.727452D+01 -0.329776D+01 -0.296131D+01 -0.424509D+01 -0.251230D+01
      2   0.728766D+00  0.684594D-01 -0.351093D+00  0.777236D+00 -0.977140D+00
      3   0.100765D+00  0.538671D+01  0.599409D+00  0.327877D+01  0.354276D+01
               221           222           223           224           225 
      1  -0.404820D+01 -0.658984D+01 -0.362994D+01 -0.548853D+01 -0.108135D+02
      2  -0.527105D+00  0.211278D+00 -0.198218D+01 -0.315491D+00 -0.764038D+00
      3   0.240214D+01  0.273155D+01  0.600716D+01  0.303322D+01  0.319595D+01
               226           227           228           229           230 
      1  -0.166389D+01  0.229362D-01 -0.198092D+01 -0.333183D+00 -0.863070D+00
      2   0.330847D+01  0.900917D+00  0.460349D+01  0.791864D+00  0.175288D+01
      3   0.212833D+01 -0.109371D+01  0.673278D+00 -0.340501D+00 -0.100138D+01
               231           232           233           234           235 
      1  -0.763308D+00 -0.259344D+01  0.193968D+01 -0.975898D+01  0.370865D+01
      2  -0.542510D+00  0.325602D+01  0.126209D+01  0.211687D+02 -0.486539D+01
      3  -0.134532D+01  0.126789D+01 -0.401962D+01  0.141726D+01  0.139024D+02
               236           237           238           239           240 
      1  -0.141812D+01 -0.229705D+01 -0.110833D+01  0.134321D+01  0.532456D+00
      2   0.870852D+00  0.761704D+01  0.105371D+01 -0.185519D+01 -0.296998D+01
      3  -0.692963D+01 -0.480576D+01 -0.546161D+01  0.313147D+01  0.314114D+01
               241           242           243           244           245 
      1  -0.273063D+01  0.206111D+01  0.155347D+01  0.481770D+00  0.175943D+00
      2   0.441746D+01 -0.885473D+00 -0.407068D+01 -0.146296D+01  0.210064D+00
      3  -0.550572D+01  0.475170D+01  0.378554D+01 -0.216517D+01  0.979762D+00
               246           247           248           249           250 
      1   0.228911D+00 -0.123682D+00 -0.290555D+00 -0.458005D+01 -0.643770D+00
      2   0.596912D+00  0.278685D+00 -0.402582D+01  0.411358D+01  0.245545D+00
      3  -0.807982D+00  0.554376D+00 -0.254964D+02  0.450459D+01 -0.922677D+00
               251           252 
      1  -0.382368D+00  0.570939D+00
      2   0.315672D+01 -0.824459D+00
      3   0.560754D+01 -0.264836D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281848D+01  0.824504D+01 -0.108572D+02  0.722456D+01 -0.180329D+01
      2   0.159537D+01 -0.604887D+01  0.618680D+01 -0.524764D+01  0.507976D+01
      3   0.122311D+01 -0.219617D+01  0.467037D+01 -0.197692D+01 -0.327647D+01
      4   0.124516D+02 -0.489653D+01  0.410852D+00 -0.692820D+01 -0.988729D+01
      5  -0.320515D+01 -0.451482D+01 -0.135168D+02 -0.655072D+01  0.487805D+01
      6   0.552119D+00  0.637543D+01  0.808959D+01  0.684153D+01 -0.533349D+01
                 6             7             8             9            10 
      1  -0.286444D+00 -0.141114D+02 -0.123425D+01 -0.120249D+02 -0.187557D+01
      2  -0.848479D+00  0.951390D+01  0.142015D+01  0.612607D+01 -0.131108D+01
      3   0.113492D+01  0.459750D+01 -0.185902D+00  0.589882D+01  0.318666D+01
      4   0.753139D+01 -0.718189D+00  0.108267D+02  0.175671D+02 -0.174803D+02
      5   0.758326D+01 -0.199809D+02  0.119328D+02  0.307145D+01 -0.390835D+01
      6  -0.578796D+01  0.127752D+02 -0.721415D+01 -0.621510D+01 -0.744061D+00
                11            12            13            14            15 
      1  -0.107097D+02 -0.269536D+01 -0.143584D+02 -0.667678D+01 -0.185649D+01
      2   0.186905D+01  0.166734D+01  0.570708D+01  0.650883D+01  0.285440D+00
      3   0.884064D+01  0.102802D+01  0.865129D+01  0.167958D+00  0.157105D+01
      4  -0.104408D+02 -0.253743D+01 -0.104551D+02  0.119036D+02 -0.458910D+00
      5   0.179789D+01  0.511731D+01  0.151380D+01 -0.101439D+01 -0.293425D+01
      6  -0.175523D+01  0.919965D+00 -0.774868D+00 -0.859741D+00 -0.155088D+01
                16            17            18            19            20 
      1  -0.329803D+01 -0.426943D+01  0.186450D+02 -0.503800D+01 -0.444394D+01
      2   0.139593D+01 -0.177442D+01  0.249691D+01  0.536749D+01  0.285703D+00
      3   0.190210D+01  0.604385D+01 -0.211419D+02 -0.329485D+00  0.415824D+01
      4  -0.495494D+01 -0.481833D+01 -0.118396D+01  0.373723D+00 -0.220840D+01
      5   0.106590D+02 -0.239701D+01  0.131176D+02 -0.253460D+01  0.725416D+00
      6   0.166866D+01  0.430065D+00  0.111538D+02 -0.293029D+01 -0.140317D+02
                21            22            23            24            25 
      1   0.106442D+02 -0.618386D+01  0.156075D+02 -0.491966D+01  0.141988D+02
      2  -0.154603D+02  0.307069D+01 -0.182370D+02  0.648323D+01 -0.175588D+02
      3   0.481603D+01  0.311317D+01  0.262958D+01 -0.156357D+01  0.336000D+01
      4  -0.192792D+01  0.143189D+01  0.366099D+01 -0.122234D+02 -0.337902D+01
      5  -0.138681D+01  0.104457D+01 -0.610804D+01  0.148992D+00  0.225855D+00
      6   0.611535D+00 -0.127819D+02  0.111083D+02 -0.155130D+02 -0.265712D+01
                26            27            28            29            30 
      1  -0.749617D+01  0.142590D+02 -0.370481D+01 -0.373546D+00 -0.283840D+01
      2   0.955600D+01 -0.191557D+02  0.293194D+01  0.910155D+01  0.842880D+01
      3  -0.205983D+01  0.489673D+01  0.772871D+00 -0.872800D+01 -0.559040D+01
      4  -0.144800D+02 -0.318162D+01 -0.112464D+02 -0.118068D+02  0.117156D+02
      5  -0.485340D+00 -0.348690D+01  0.895505D+01  0.100815D+02 -0.967484D+01
      6  -0.234257D+02  0.816065D+00  0.724232D+01  0.108820D+02 -0.118335D+02
                31            32            33            34            35 
      1   0.773767D+00 -0.574027D+01  0.702045D+01 -0.266593D+01  0.124314D+02
      2   0.515885D+01  0.106253D+02 -0.516231D+01  0.797127D+01 -0.615231D+01
      3  -0.593262D+01 -0.488499D+01 -0.185814D+01 -0.530534D+01 -0.627909D+01
      4  -0.115152D+02 -0.497390D+01  0.545637D+01  0.158856D+02  0.705908D+01
      5   0.767731D+01  0.180436D+01 -0.309197D+01 -0.827918D+01 -0.278287D+01
      6   0.720196D+01  0.143995D+01 -0.496804D+01 -0.860805D+01  0.348048D+00
                36            37            38            39            40 
      1  -0.565134D+01  0.339751D+01  0.132257D+02  0.124879D+02  0.156475D+02
      2   0.782687D+01 -0.903925D+01 -0.870040D+01 -0.615157D+01 -0.827629D+01
      3  -0.217553D+01  0.564175D+01 -0.452529D+01 -0.633634D+01 -0.737118D+01
      4   0.942543D-01  0.122444D+02 -0.170806D+01 -0.907157D+01  0.471152D+00
      5  -0.975718D+00  0.133043D+02 -0.359977D+01  0.590183D+01 -0.268935D+01
      6  -0.105778D+01 -0.174443D+01  0.157801D-01  0.290037D+01  0.264069D+01
                41            42            43            44            45 
      1  -0.137485D+01 -0.233487D+01  0.138483D+02 -0.501718D+01  0.609201D+01
      2  -0.333715D+00  0.578765D+01 -0.690907D+01  0.388759D+01 -0.101155D+01
      3   0.170856D+01 -0.345278D+01 -0.693920D+01  0.112958D+01 -0.508047D+01
      4  -0.415906D+01  0.839194D+01 -0.115855D+02  0.718137D+01 -0.981999D+01
      5   0.104867D+02 -0.647251D+01  0.350916D+01 -0.828475D+01 -0.531848D+01
      6   0.125929D-02  0.479403D+01 -0.156672D+01 -0.567078D+00 -0.135618D+01
                46            47            48            49            50 
      1  -0.836585D+01 -0.415927D-01 -0.244028D+01  0.973878D+00  0.212627D+02
      2   0.545234D+01  0.401989D+01  0.390205D+01  0.967273D+00 -0.328494D+02
      3   0.291351D+01 -0.397830D+01 -0.146177D+01 -0.194115D+01  0.115867D+02
      4   0.344257D+01  0.385144D+01  0.323997D+01  0.332605D+01  0.975051D+00
      5  -0.469458D+01 -0.327272D+01 -0.296917D+01 -0.404081D+01 -0.647496D+01
      6   0.664889D+00  0.708715D+00 -0.385700D+01 -0.266617D+01 -0.358242D+01
                51            52            53            54            55 
      1  -0.577049D+01 -0.842206D+00 -0.159985D+01 -0.406961D-01  0.457619D+01
      2  -0.969943D+00  0.353834D+01 -0.121922D+01  0.851808D+01  0.761372D+01
      3   0.674043D+01 -0.269613D+01  0.281907D+01 -0.847738D+01 -0.121899D+02
      4  -0.330021D+01  0.629889D+01  0.150271D+01  0.108455D+01  0.198293D+01
      5   0.932490D+00 -0.186781D+01  0.127724D+01 -0.139250D+01 -0.593970D+01
      6  -0.184816D-01 -0.444820D-01  0.432729D+01 -0.184006D+01  0.858932D+00
                56            57            58            59            60 
      1  -0.698274D+01 -0.121615D+01 -0.595512D+01 -0.534371D+01  0.656497D+01
      2  -0.810603D+01  0.955056D-01 -0.780804D+01 -0.136106D+01  0.519601D+01
      3   0.150888D+02  0.112065D+01  0.137632D+02  0.670478D+01 -0.117610D+02
      4  -0.153946D+01 -0.195676D+01 -0.842148D+00  0.164209D+01  0.324043D+01
      5   0.132199D+01 -0.132722D+02  0.278409D+01  0.692342D+01  0.100971D+02
      6   0.450571D+01  0.153081D+02  0.732791D+01  0.159369D+01  0.260278D+01
                61            62            63            64            65 
      1  -0.284643D+01  0.128842D+01 -0.308778D+01  0.989247D+01 -0.419744D+01
      2  -0.157506D+01  0.714390D+01 -0.193260D+01 -0.513144D+01  0.456524D+00
      3   0.442149D+01 -0.843232D+01  0.502038D+01 -0.476103D+01  0.374092D+01
      4  -0.611988D+01  0.153666D+00  0.398423D+01 -0.141587D+02  0.111702D+02
      5  -0.888861D+01  0.744132D+01  0.158642D+01 -0.114689D+02  0.627457D+01
      6   0.107158D+02 -0.116016D+01 -0.614557D+01  0.722895D+01 -0.604235D+01
                66            67            68            69            70 
      1  -0.370476D+01 -0.279960D+01 -0.325320D+01 -0.182514D+01 -0.590230D+01
      2   0.265917D+01 -0.884595D+00  0.750991D+01  0.270128D+01  0.475431D+01
      3   0.104559D+01  0.368420D+01 -0.425672D+01 -0.876146D+00  0.114799D+01
      4   0.817831D+01  0.129279D+02 -0.126518D+02 -0.103438D+02  0.131015D+02
      5   0.122187D+02  0.633598D+01 -0.863132D+01 -0.777126D+01  0.170678D+02
      6  -0.698139D+01 -0.692274D+01  0.103501D+02  0.100691D+02 -0.112810D+02
                71            72            73            74            75 
      1  -0.190704D+01 -0.295526D-01 -0.186441D+02  0.178707D+02  0.183527D+02
      2   0.263734D+01 -0.588376D+01  0.204913D+02 -0.565137D+01 -0.113225D+02
      3  -0.730297D+00  0.591331D+01 -0.184714D+01 -0.122194D+02 -0.703028D+01
      4  -0.144324D+02 -0.147726D+02  0.223920D+02  0.148631D+02 -0.116334D+00
      5  -0.108230D+02 -0.194034D+02  0.212153D+02 -0.468884D+01 -0.150890D+02
      6   0.129283D+02  0.169096D+02  0.396455D+01 -0.516450D+00 -0.396345D+01
                76            77            78            79            80 
      1   0.295820D+02  0.213481D+02 -0.930420D+01  0.226311D+02 -0.597363D+01
      2  -0.169706D+02 -0.293455D+02  0.110739D+02 -0.110050D+02  0.101913D+02
      3  -0.126114D+02  0.799739D+01 -0.176969D+01 -0.116261D+02 -0.421768D+01
      4   0.105926D+02 -0.248341D+02  0.906808D+01  0.331815D+01  0.101773D+02
      5  -0.599274D+01  0.105326D+02  0.372520D+01 -0.212106D+02  0.280328D+00
      6   0.238085D+00  0.121149D+02 -0.734219D+00 -0.622379D+01 -0.147540D+01
                81            82            83            84            85 
      1  -0.162663D+02 -0.135087D+01  0.221311D+01 -0.260185D+01  0.199269D+01
      2   0.115050D+02 -0.273813D+01 -0.596031D+00  0.150017D+00 -0.763792D+00
      3   0.476130D+01  0.408900D+01 -0.161708D+01  0.245183D+01 -0.122890D+01
      4  -0.299128D+01  0.161356D+01  0.282952D+01 -0.861005D+00  0.395503D+01
      5  -0.256580D+02 -0.299764D-01 -0.650102D+00  0.498393D+01 -0.734700D+00
      6  -0.125380D+02 -0.132982D+01  0.387668D+00 -0.726686D+00  0.240453D+00
                86            87            88            89            90 
      1  -0.343945D+01  0.301142D+01 -0.454885D+01  0.320480D+01 -0.195851D+02
      2   0.811908D+00 -0.575705D+00  0.937904D+00  0.116530D+01 -0.127392D+02
      3   0.262755D+01 -0.243571D+01  0.361094D+01 -0.437010D+01  0.323243D+02
      4   0.569152D+00 -0.251674D+01 -0.257131D+01 -0.404762D+01  0.190929D+01
      5  -0.227640D+01  0.250637D+01  0.456683D+01  0.326416D+01 -0.168514D+02
      6  -0.349647D+01  0.741734D+01  0.138684D+00  0.631024D+01 -0.115189D+02
                91            92            93            94            95 
      1   0.143319D+02  0.313459D+01 -0.187089D+01  0.983763D+00 -0.358320D+01
      2  -0.757991D+01  0.906534D+00  0.253085D+01  0.221438D+01  0.913465D+01
      3  -0.675196D+01 -0.404112D+01 -0.659958D+00 -0.319814D+01 -0.555144D+01
      4   0.216315D+02  0.171122D+02 -0.108214D+02  0.148516D+02  0.156219D+02
      5  -0.184050D+02 -0.109872D+02  0.144362D+02 -0.857373D+01 -0.909991D+01
      6  -0.116109D+02 -0.105826D+02  0.959110D+01 -0.917163D+01 -0.127686D+02
                96            97            98            99           100 
      1   0.177958D+01 -0.106228D+01  0.148580D+01 -0.230865D+01 -0.223401D+01
      2  -0.132573D+01  0.220612D+01 -0.776161D-01 -0.474342D+01  0.421584D+01
      3  -0.453853D+00 -0.114384D+01 -0.140819D+01  0.705207D+01 -0.198182D+01
      4  -0.833907D+01 -0.929464D+01 -0.804577D+01  0.886817D+01 -0.181640D+02
      5   0.661467D+01  0.127604D+02  0.814680D+01 -0.111864D+02 -0.139307D+02
      6   0.962697D+01  0.890126D+01  0.966267D+01 -0.108246D+02 -0.158308D+02
               101           102           103           104           105 
      1  -0.187532D+02 -0.128085D+02 -0.220281D+02  0.241908D+01 -0.740244D+01
      2   0.434597D+01  0.283220D+01  0.520236D+01  0.858433D+01 -0.655517D+01
      3   0.144072D+02  0.997634D+01  0.168257D+02 -0.110034D+02  0.139576D+02
      4  -0.786170D+01 -0.185307D+01 -0.102446D+02  0.260032D+01 -0.132919D+02
      5  -0.110891D+02 -0.743325D+01 -0.111633D+02 -0.146965D+02  0.985710D+01
      6  -0.573259D+01  0.290416D+01 -0.868109D+01  0.648624D+01 -0.182707D+02
               106           107           108           109           110 
      1  -0.107256D+02 -0.322439D+01 -0.297794D+01 -0.202189D+02 -0.286160D+02
      2   0.238218D+01 -0.663515D+01 -0.566960D+01  0.150729D+02  0.170490D+02
      3   0.834346D+01  0.985954D+01  0.864753D+01  0.514600D+01  0.115670D+02
      4   0.258053D+01 -0.929377D+01  0.102202D+02 -0.274057D+02 -0.147685D+01
      5  -0.588574D+01  0.108301D+02  0.712398D+01 -0.102695D+02  0.702284D+01
      6   0.674720D+01 -0.125267D+02  0.127976D+02  0.578184D+01 -0.289420D+01
               111           112           113           114           115 
      1  -0.953131D+01 -0.372438D+02 -0.312743D+01  0.196463D+01 -0.109331D+02
      2   0.232504D+01  0.236194D+02 -0.647644D+01  0.632546D+01  0.100732D+01
      3   0.720627D+01  0.136244D+02  0.960388D+01 -0.829009D+01  0.992580D+01
      4   0.770954D+01 -0.868081D+01  0.152589D+02 -0.146211D+02  0.992655D+01
      5   0.177131D+01  0.852049D+01 -0.133970D+02  0.141350D+02 -0.170926D+01
      6   0.215440D-01 -0.423772D+01  0.861414D+01 -0.788273D+01  0.335940D+01
               116           117           118           119           120 
      1   0.230865D+01  0.714014D+01 -0.180225D-01  0.150744D+01 -0.307302D+00
      2   0.793780D+01 -0.632528D+01  0.385738D+01 -0.214741D+01 -0.547514D+00
      3  -0.102464D+02 -0.814855D+00 -0.383936D+01  0.639975D+00  0.854817D+00
      4  -0.156236D+02  0.154744D+02 -0.140876D+00  0.898212D+01 -0.982943D+00
      5   0.164341D+02  0.201891D+02  0.508079D+00  0.356963D+00  0.247956D+01
      6  -0.791246D+01 -0.881904D+01  0.129693D+00 -0.264958D+00 -0.414178D-01
               121           122           123           124           125 
      1   0.342575D+00 -0.279535D+02 -0.414902D+00 -0.577166D+00  0.205101D+00
      2   0.122236D+01  0.511678D+02 -0.554142D+00 -0.716527D+00 -0.156351D+01
      3  -0.156493D+01 -0.232143D+02  0.969044D+00  0.129369D+01  0.135841D+01
      4   0.813294D+01  0.128292D+01  0.265420D+00 -0.168853D+01 -0.495901D+00
      5   0.234728D+00  0.121572D+01  0.169889D+00  0.199821D+01  0.524060D-01
      6   0.358759D+00  0.490831D+01  0.672109D+01  0.566539D+00  0.742143D+01
               126           127           128           129           130 
      1  -0.398763D+01 -0.114101D+01  0.205953D+01  0.625490D+01  0.225517D+01
      2   0.337993D+01 -0.660744D+01  0.286944D+01  0.784653D+01  0.161766D+01
      3   0.607699D+00  0.774845D+01 -0.492896D+01 -0.141014D+02 -0.387283D+01
      4   0.229813D+00 -0.416047D+01  0.347636D+01  0.357070D+01  0.392063D+01
      5   0.937610D+00 -0.872256D+01  0.402844D+01  0.118245D+02  0.406325D+01
      6   0.503317D+00  0.515660D+01 -0.613747D+01 -0.744100D+01 -0.555959D+01
               131           132           133           134           135 
      1  -0.583193D+01 -0.883575D+01  0.311682D+01 -0.632552D+01 -0.169284D+02
      2   0.162257D+00 -0.382590D+01  0.538303D+01 -0.390819D+01 -0.148662D+02
      3   0.566967D+01  0.126617D+02 -0.849986D+01  0.102337D+02  0.317945D+02
      4  -0.347743D+01 -0.323331D+01  0.338142D+01 -0.290527D+01 -0.416117D+01
      5  -0.483811D+01 -0.521942D+01  0.103393D+02 -0.499806D+01 -0.120721D+02
      6   0.106118D+02  0.122977D+02 -0.577175D+01  0.987394D+01  0.147255D+02
               136           137           138           139           140 
      1   0.207873D+01  0.161568D+01 -0.601203D+01  0.144992D+01 -0.154615D+01
      2  -0.106227D+02  0.135508D+01 -0.109925D+02  0.230832D+01  0.581160D+00
      3   0.854396D+01 -0.297076D+01  0.170045D+02 -0.375825D+01  0.964992D+00
      4   0.725730D+00  0.383612D+01 -0.221437D+00  0.331142D+01 -0.852218D+00
      5   0.186869D+02 -0.190939D+01  0.169773D+02 -0.364501D+01  0.246918D+01
      6  -0.235788D+01  0.417436D+01 -0.325789D+01  0.283945D+01 -0.371390D+01
               141           142           143           144           145 
      1   0.197613D+01 -0.214002D+01  0.665470D+00 -0.829693D+01 -0.700232D+01
      2   0.172311D+01 -0.740648D+01 -0.150294D+00 -0.114919D+02  0.150929D+01
      3  -0.369924D+01  0.954650D+01 -0.515176D+00  0.197888D+02  0.549304D+01
      4   0.112804D+01  0.295433D+00  0.144921D+01 -0.549164D+00  0.156984D+01
      5  -0.413232D+01  0.130663D+02 -0.208368D+01  0.133573D+02 -0.908728D+01
      6   0.534160D+01 -0.243972D+01  0.448848D+01 -0.168821D+01  0.604762D+01
               146           147           148           149           150 
      1   0.767299D+01  0.108783D+02  0.773707D+01 -0.771598D+01 -0.693833D+01
      2  -0.190406D+01  0.298929D+01 -0.254352D+01  0.183521D+01  0.149319D+00
      3  -0.576893D+01 -0.138676D+02 -0.519355D+01  0.588076D+01  0.678901D+01
      4   0.504032D+00 -0.875982D+00  0.225872D+01  0.889856D+00  0.277277D+01
      5   0.372361D+01  0.174540D+01  0.550391D+01 -0.442135D-01 -0.969242D+00
      6  -0.587863D+01 -0.590534D+01 -0.363675D+01  0.724142D+01  0.864757D+01
               151           152           153           154           155 
      1   0.720670D+01 -0.606238D+01 -0.102942D+02  0.272240D+02  0.946769D+01
      2   0.582838D+00  0.165857D+01 -0.358152D+01 -0.156754D+02 -0.302835D+01
      3  -0.778954D+01  0.440381D+01  0.138757D+02 -0.115486D+02 -0.643935D+01
      4  -0.337875D+00  0.137748D+01  0.473835D-01  0.184513D+02  0.143537D+02
      5   0.528782D+01 -0.246406D+01 -0.250521D+01  0.267964D+02  0.120195D+02
      6  -0.485169D+01  0.742094D+01  0.588644D+01  0.116429D+02  0.970599D+01
               156           157           158           159           160 
      1   0.544425D+01  0.119716D+02  0.393360D+01  0.143519D+01  0.466466D+00
      2  -0.853505D+01 -0.445491D+01  0.384413D+00 -0.295849D+01 -0.375001D+01
      3   0.309080D+01 -0.751666D+01 -0.431801D+01  0.152330D+01  0.328355D+01
      4   0.675920D+01  0.157358D+02  0.141035D+02  0.752293D+01  0.209081D+01
      5   0.175419D+02  0.145241D+02  0.109622D+02  0.880060D+01  0.966251D+01
      6   0.579116D+01  0.988162D+01  0.954363D+01  0.881840D+01  0.337276D+01
               161           162           163           164           165 
      1   0.196378D-01  0.162747D+01  0.167243D+01 -0.364171D+00  0.301996D+01
      2  -0.109562D+01 -0.373552D+01 -0.322246D+01  0.169346D+01 -0.396963D+01
      3   0.107598D+01  0.210805D+01  0.155003D+01 -0.132929D+01  0.949670D+00
      4   0.276978D+01  0.313750D+01 -0.173593D+01  0.519034D+01 -0.264441D+01
      5   0.389825D+01  0.670829D+01  0.699171D+01 -0.335703D+01  0.855790D+01
      6   0.534236D+01  0.264492D+01 -0.228141D+01  0.281861D+01 -0.232879D+01
               166           167           168           169           170 
      1  -0.503828D+00 -0.778064D+01  0.104143D+02  0.128564D+01  0.627390D+01
      2   0.336386D+01 -0.234553D-01  0.800570D+01 -0.454777D+01  0.489835D+01
      3  -0.286003D+01  0.780409D+01 -0.184200D+02  0.326213D+01 -0.111723D+02
      4   0.758297D+01 -0.130085D+02  0.993450D+01 -0.308455D+01  0.676588D+01
      5  -0.860074D+01  0.105251D+02 -0.153697D+02  0.906181D+01 -0.820458D+01
      6   0.621683D+01 -0.209627D+02  0.190845D+02 -0.379891D+01  0.138236D+02
               171           172           173           174           175 
      1  -0.113562D+02  0.350316D+01  0.102323D+01 -0.265555D+01  0.141123D+01
      2  -0.111338D+02 -0.308944D+01 -0.437317D-01  0.254137D+01 -0.177289D+01
      3   0.224900D+02 -0.413722D+00 -0.979499D+00  0.114186D+00  0.361664D+00
      4  -0.773299D+01  0.447573D+00  0.164167D+01  0.226643D+01  0.552481D+01
      5   0.145741D+02 -0.359564D+01  0.147530D+01  0.509368D+01  0.253985D+01
      6  -0.152584D+02  0.168910D+01 -0.327913D+00 -0.140662D+01 -0.149257D+01
               176           177           178           179           180 
      1  -0.179545D+01 -0.295514D+01 -0.861220D+01 -0.201256D+01 -0.619517D+01
      2   0.349509D+01  0.138051D+01  0.541049D+01  0.176241D+01 -0.513351D+01
      3  -0.169964D+01  0.157463D+01  0.320171D+01  0.250153D+00  0.113287D+02
      4  -0.801344D+01 -0.521660D+01  0.705136D+01 -0.893373D+01 -0.113583D+02
      5  -0.523122D+01 -0.958394D+01  0.120008D+02 -0.118790D+02 -0.330034D+02
      6   0.495596D+01  0.913162D+01 -0.434845D+01  0.998596D+01  0.168224D+02
               181           182           183           184           185 
      1   0.857530D+01 -0.375747D+01  0.380074D+01 -0.580069D+01 -0.307063D+01
      2  -0.169751D+01 -0.761271D+00 -0.789876D+00 -0.485256D+01  0.225283D+02
      3  -0.687779D+01  0.451874D+01 -0.301086D+01  0.106533D+02 -0.194576D+02
      4  -0.693145D+01  0.109193D+02 -0.489109D+01  0.211400D+02 -0.361147D+02
      5   0.421959D+01 -0.380820D+01  0.338699D+01 -0.597082D+01  0.115129D+02
      6  -0.291511D+01  0.133587D+01 -0.839936D+00  0.366204D+01 -0.947125D+01
               186           187           188           189           190 
      1   0.147769D+01  0.870333D+01  0.815504D+00 -0.204958D+01  0.658226D+02
      2  -0.671898D+01 -0.131301D+01 -0.856576D+01  0.312110D+01 -0.358513D+02
      3   0.524129D+01 -0.739032D+01  0.775026D+01 -0.107153D+01 -0.299713D+02
      4   0.122693D+02 -0.120083D+02  0.176485D+02 -0.110810D+02  0.787104D+01
      5  -0.116417D+02  0.725423D+01 -0.112676D+02  0.969986D+01 -0.774524D+00
      6   0.904983D+01 -0.430564D+01  0.929920D+01 -0.769444D+01 -0.153209D+01
               191           192           193           194           195 
      1   0.160000D+02  0.191393D+01  0.341116D+02  0.114823D+02  0.571265D+00
      2  -0.102488D+02 -0.771697D+00 -0.188877D+02 -0.485360D+01 -0.938195D+00
      3  -0.575120D+01 -0.114223D+01 -0.152239D+02 -0.662872D+01  0.366930D+00
      4   0.114577D+02  0.191155D-01  0.125832D+02  0.106015D+02  0.213129D+01
      5  -0.576367D+00  0.852407D+01 -0.165639D+01  0.137841D+01  0.494922D+01
      6  -0.645894D+00 -0.908745D+00 -0.734238D+00 -0.159891D+01  0.141946D+01
               196           197           198           199           200 
      1   0.580054D+01  0.332652D+00  0.518633D+01  0.237627D+02 -0.341895D+01
      2  -0.252857D+01 -0.145642D+01 -0.356084D+01 -0.123303D+02 -0.455151D-01
      3  -0.327197D+01  0.112377D+01 -0.162548D+01 -0.114324D+02  0.346447D+01
      4  -0.826809D+00  0.305713D+01  0.375711D+00 -0.143394D+02  0.969301D+01
      5   0.930139D+01  0.114400D+01  0.646269D-01  0.130234D+02 -0.227116D+01
      6  -0.385675D+00  0.189435D+01  0.855671D+00 -0.488906D+01  0.903420D+00
               201           202           203           204           205 
      1   0.100631D+02 -0.483619D+00  0.250929D+01  0.572669D+00  0.164139D+02
      2  -0.579237D+01 -0.117589D+01 -0.736465D+00 -0.105780D+01 -0.975333D+01
      3  -0.427071D+01  0.165951D+01 -0.177282D+01  0.485131D+00 -0.666062D+01
      4  -0.612631D+01  0.740746D+01 -0.270109D+01  0.313239D+01 -0.965238D+01
      5   0.112560D+02 -0.492805D+00  0.311794D+01 -0.214456D+01  0.137110D+02
      6  -0.461111D+01  0.155871D+01 -0.164063D+01  0.358789D+01 -0.625724D+01
               206           207           208           209           210 
      1  -0.249725D-01  0.710552D+01 -0.129360D+01  0.466276D+01 -0.280443D+01
      2  -0.215361D+01 -0.666485D+01  0.466194D+01 -0.860422D+01  0.390976D+01
      3   0.217858D+01 -0.440667D+00 -0.336834D+01  0.394146D+01 -0.110532D+01
      4   0.711235D+01 -0.917383D+01 -0.660228D+01  0.113788D+02 -0.460465D+01
      5  -0.504127D+01  0.132124D+02  0.216992D+01 -0.354197D+01  0.402968D+01
      6   0.393630D+01 -0.602185D+01 -0.498272D+01  0.678535D+01 -0.368819D+01
               211           212           213           214           215 
      1   0.311121D+01 -0.287250D+02  0.121820D+02 -0.340897D+01  0.189863D+02
      2  -0.640239D+01  0.437421D+02 -0.155363D+02  0.522793D+01 -0.238453D+02
      3   0.329118D+01 -0.150171D+02  0.335425D+01 -0.181896D+01  0.485904D+01
      4   0.789717D+01 -0.112106D+02  0.551533D+01 -0.514988D+01  0.820083D+01
      5  -0.222265D+01  0.444934D+01 -0.250851D+01  0.367259D+01 -0.438841D+01
      6   0.510238D+01 -0.241951D+02  0.172462D+02 -0.380264D+01  0.242340D+02
               216           217           218           219           220 
      1  -0.149118D+02 -0.126478D+01 -0.510396D+01 -0.341483D+01 -0.288233D+01
      2   0.125777D+02  0.337888D+01  0.103055D+02  0.523302D+01  0.564676D+01
      3   0.233404D+01 -0.211410D+01 -0.520157D+01 -0.181819D+01 -0.276443D+01
      4  -0.447078D+01  0.775363D+01  0.799968D+01  0.513415D+01  0.582406D+01
      5   0.410283D+01  0.276638D+01  0.200374D+01  0.363744D+01  0.161703D+01
      6  -0.195298D+02  0.577151D+01  0.590418D+01  0.501354D+01  0.499950D+01
               221           222           223           224           225 
      1  -0.157083D+02 -0.645015D+01 -0.554373D+01 -0.117111D+02 -0.112832D+02
      2   0.247025D+02  0.885549D+01  0.562758D+01  0.162860D+02  0.109484D+02
      3  -0.899422D+01 -0.240534D+01 -0.838476D-01 -0.457493D+01  0.334776D+00
      4   0.630278D+01  0.415336D+01  0.659345D+01  0.539552D+01  0.473893D+01
      5   0.190154D+01  0.134377D+01  0.353832D+01  0.179719D+01  0.283555D+01
      6   0.110730D+02  0.124338D+02  0.594226D+01  0.168131D+02  0.166656D+02
               226           227           228           229           230 
      1   0.975382D+01 -0.779639D+00  0.526068D+01 -0.513412D+01 -0.216221D+01
      2  -0.756631D+01  0.437480D+00 -0.364660D+01  0.346858D+01  0.298180D+01
      3  -0.218751D+01  0.342159D+00 -0.161408D+01  0.166555D+01 -0.819592D+00
      4   0.145339D+01  0.126428D+01  0.298768D+01  0.177311D+01  0.312418D+01
      5   0.623919D+01  0.164782D+01  0.118041D+02  0.669644D+00  0.321499D+01
      6   0.257072D+01  0.766699D+00  0.349527D+01  0.117166D+01  0.559053D+00
               231           232           233           234           235 
      1  -0.463898D-01  0.139689D+02  0.153077D+01  0.522249D+01  0.651462D+02
      2   0.990361D+00 -0.824106D+01  0.143494D+01 -0.114612D+02 -0.379928D+02
      3  -0.943972D+00 -0.572784D+01 -0.296570D+01  0.623869D+01 -0.271534D+02
      4   0.369691D+01  0.906610D+01  0.944790D+01  0.562907D+01  0.609935D+01
      5  -0.225596D+00  0.178187D+02  0.397158D+01  0.372568D+02 -0.252138D+02
      6   0.359324D+01  0.597234D+01  0.517508D+01  0.164777D+02 -0.411910D+01
               236           237           238           239           240 
      1  -0.666802D+01 -0.183482D+02 -0.216054D+02  0.478622D+01  0.562150D+01
      2   0.567131D+01  0.125356D+02  0.134306D+02 -0.154583D+01 -0.523890D+01
      3   0.996718D+00  0.581259D+01  0.817481D+01 -0.324039D+01 -0.382602D+00
      4   0.868465D+01 -0.139060D+01  0.562075D+01 -0.334120D+01 -0.399018D+01
      5   0.230546D+01  0.175433D+02  0.757416D+01 -0.504285D+01 -0.650168D+01
      6  -0.974534D+00  0.374136D+01 -0.533814D+00 -0.210111D+00  0.549640D+00
               241           242           243           244           245 
      1  -0.257769D+02  0.236655D+01  0.126805D+02  0.882258D+00  0.540183D+01
      2   0.172005D+02 -0.389763D+01 -0.118439D+02  0.148277D+01 -0.442539D+01
      3   0.857638D+01  0.153108D+01 -0.836533D+00 -0.236503D+01 -0.976441D+00
      4  -0.375063D+01 -0.706802D+01  0.890843D+00  0.177891D+01  0.388418D+01
      5   0.213996D+02 -0.185591D+01 -0.132334D+02 -0.248627D+01 -0.547062D+00
      6   0.391307D+01  0.221303D+01 -0.142429D+01 -0.203408D+01  0.514786D+00
               246           247           248           249           250 
      1  -0.320091D+01  0.546530D+01 -0.208193D+02  0.476770D+01 -0.505175D+01
      2   0.173975D+01  0.293269D+01  0.441323D+02 -0.672965D+01  0.175863D+01
      3   0.146117D+01 -0.839799D+01 -0.233129D+02  0.196196D+01  0.329312D+01
      4  -0.113736D+01  0.166335D+02  0.466062D+02 -0.806566D+01 -0.446731D+01
      5   0.176077D+01 -0.226918D+01 -0.851769D+01  0.770297D+01  0.515731D+01
      6  -0.596646D+00 -0.247889D+01 -0.127971D+02  0.954315D+01  0.218725D+01
               251           252 
      1   0.496271D+01 -0.218291D+01
      2  -0.746551D+01  0.293424D+01
      3   0.250280D+01 -0.751338D+00
      4  -0.998099D+01  0.622524D+01
      5   0.640268D+01 -0.214144D+01
      6   0.950701D+01 -0.435522D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:09:38 2021, MaxMem= 17179869184 cpu:           13726.9 elap:            1152.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.29938 -10.29289 -10.29230 -10.29060 -10.28644
 Alpha  occ. eigenvalues --  -10.28626 -10.28397 -10.28069 -10.27961 -10.27865
 Alpha  occ. eigenvalues --   -0.97258  -0.87685  -0.84070  -0.82350  -0.77079
 Alpha  occ. eigenvalues --   -0.75247  -0.70631  -0.67586  -0.65297  -0.58312
 Alpha  occ. eigenvalues --   -0.57337  -0.56183  -0.53682  -0.51427  -0.50743
 Alpha  occ. eigenvalues --   -0.49399  -0.48148  -0.46991  -0.46441  -0.44950
 Alpha  occ. eigenvalues --   -0.44850  -0.43322  -0.42955  -0.41792  -0.40825
 Alpha  occ. eigenvalues --   -0.38448  -0.36521  -0.36093  -0.34677
 Alpha virt. eigenvalues --    0.08334   0.09940   0.10824   0.11047   0.13209
 Alpha virt. eigenvalues --    0.13469   0.13648   0.13995   0.14766   0.16211
 Alpha virt. eigenvalues --    0.16706   0.17520   0.18533   0.18829   0.19638
 Alpha virt. eigenvalues --    0.19739   0.20665   0.20960   0.22031   0.22715
 Alpha virt. eigenvalues --    0.23152   0.23641   0.23977   0.24884   0.25241
 Alpha virt. eigenvalues --    0.25702   0.26863   0.27331   0.28247   0.28880
 Alpha virt. eigenvalues --    0.29085   0.29938   0.30920   0.31530   0.32108
 Alpha virt. eigenvalues --    0.32665   0.33243   0.33391   0.34408   0.34981
 Alpha virt. eigenvalues --    0.36040   0.36921   0.37334   0.37570   0.38312
 Alpha virt. eigenvalues --    0.38730   0.39080   0.39434   0.39772   0.39946
 Alpha virt. eigenvalues --    0.40626   0.40788   0.41323   0.41989   0.42173
 Alpha virt. eigenvalues --    0.42678   0.42778   0.43356   0.43755   0.44210
 Alpha virt. eigenvalues --    0.44528   0.44911   0.45562   0.45915   0.46313
 Alpha virt. eigenvalues --    0.46998   0.47460   0.47625   0.47897   0.48330
 Alpha virt. eigenvalues --    0.48658   0.49434   0.49700   0.50510   0.51175
 Alpha virt. eigenvalues --    0.51817   0.51869   0.52824   0.53179   0.53985
 Alpha virt. eigenvalues --    0.54530   0.55076   0.55109   0.55618   0.56704
 Alpha virt. eigenvalues --    0.57067   0.57320   0.58152   0.58730   0.58886
 Alpha virt. eigenvalues --    0.59292   0.59779   0.60049   0.61009   0.61515
 Alpha virt. eigenvalues --    0.61758   0.61899   0.62382   0.62724   0.63251
 Alpha virt. eigenvalues --    0.63517   0.64271   0.65274   0.65389   0.65497
 Alpha virt. eigenvalues --    0.65987   0.67186   0.67958   0.68837   0.68982
 Alpha virt. eigenvalues --    0.69201   0.69878   0.71100   0.71916   0.72498
 Alpha virt. eigenvalues --    0.73270   0.73712   0.74499   0.75212   0.75290
 Alpha virt. eigenvalues --    0.75839   0.77184   0.77822   0.78385   0.79153
 Alpha virt. eigenvalues --    0.79511   0.79889   0.80420   0.82612   0.83364
 Alpha virt. eigenvalues --    0.84499   0.85646   0.86650   0.87417   0.87990
 Alpha virt. eigenvalues --    0.88843   0.89441   0.90796   0.91159   0.91974
 Alpha virt. eigenvalues --    0.93663   0.94314   0.95192   1.00137   1.02376
 Alpha virt. eigenvalues --    1.03924   1.05208   1.05688   1.06662   1.07144
 Alpha virt. eigenvalues --    1.07889   1.09237   1.09556   1.10175   1.11850
 Alpha virt. eigenvalues --    1.12782   1.13194   1.13515   1.14176   1.14444
 Alpha virt. eigenvalues --    1.15453   1.16657   1.17436   1.18855   1.19239
 Alpha virt. eigenvalues --    1.20162   1.20699   1.24077   1.25705   1.26644
 Alpha virt. eigenvalues --    1.27851   1.28734   1.30085   1.33523   1.34606
 Alpha virt. eigenvalues --    1.35513   1.38484   1.39208   1.42182   1.43502
 Alpha virt. eigenvalues --    1.44960   1.45099   1.46320   1.48911   1.49750
 Alpha virt. eigenvalues --    1.50762   1.52406   1.54068   1.54620   1.56151
 Alpha virt. eigenvalues --    1.58196   1.61089   1.61890   1.63134   1.64100
 Alpha virt. eigenvalues --    1.65213   1.68633   1.69605   1.72357   1.73191
 Alpha virt. eigenvalues --    1.75452   1.76774   1.79132   1.80682   1.81340
 Alpha virt. eigenvalues --    1.83036   1.83261   1.84451   1.86118   1.86643
 Alpha virt. eigenvalues --    1.88384   1.88821   1.94808   1.95701   1.96169
 Alpha virt. eigenvalues --    1.96785   1.97818   1.99646   2.01062   2.02757
 Alpha virt. eigenvalues --    2.03299   2.04775   2.05087   2.05743   2.07970
 Alpha virt. eigenvalues --    2.09220   2.10224   2.11865   2.12125   2.13398
 Alpha virt. eigenvalues --    2.14441   2.16817   2.17061   2.19244   2.19774
 Alpha virt. eigenvalues --    2.20678   2.21919   2.23533   2.25419   2.25916
 Alpha virt. eigenvalues --    2.27966   2.28474   2.30038   2.31435   2.32689
 Alpha virt. eigenvalues --    2.33866   2.34553   2.38092   2.38904   2.39929
 Alpha virt. eigenvalues --    2.41225   2.42627   2.43737   2.44028   2.45579
 Alpha virt. eigenvalues --    2.47153   2.48560   2.49332   2.51553   2.53395
 Alpha virt. eigenvalues --    2.54672   2.56603   2.57763   2.60069   2.61615
 Alpha virt. eigenvalues --    2.64247   2.66803   2.67689   2.70090   2.70324
 Alpha virt. eigenvalues --    2.71845   2.74106   2.75267   2.76598   2.77666
 Alpha virt. eigenvalues --    2.78628   2.81261   2.81772   2.83798   2.85099
 Alpha virt. eigenvalues --    2.86472   2.90267   2.92733   2.93392   2.99141
 Alpha virt. eigenvalues --    3.04921   3.07604   3.09480   3.11151   3.15552
 Alpha virt. eigenvalues --    3.16509   3.18328   3.19706   3.23281   3.24597
 Alpha virt. eigenvalues --    3.26426   3.27361   3.28121   3.29188   3.29929
 Alpha virt. eigenvalues --    3.32954   3.36857   3.37810   3.42539   3.43910
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.885762   0.157288   0.180375   0.287744  -0.292626   0.189180
     2  C    0.157288   6.608680   0.221727  -0.211759  -0.135146   0.081482
     3  C    0.180375   0.221727   4.909571   0.185346   0.001598  -0.082988
     4  C    0.287744  -0.211759   0.185346   7.135243  -1.709882   0.740876
     5  C   -0.292626  -0.135146   0.001598  -1.709882  15.483810  -1.476948
     6  C    0.189180   0.081482  -0.082988   0.740876  -1.476948   7.410830
     7  C   -0.137169  -0.137540  -0.184317  -0.403999   0.050585  -0.446491
     8  H    0.200009   0.160077  -0.121585   0.003313   0.003598   0.030510
     9  C   -0.021656   0.107709   0.002547  -0.004578   0.080244  -0.016240
    10  H   -0.066529   0.274360   0.048443   0.026974  -0.135816  -0.175666
    11  H    0.023645   0.007906  -0.357253   0.033115  -0.469836  -0.032543
    12  C    0.020547  -0.119729  -0.166982   0.164642  -2.287447   0.190370
    13  C    0.011696   0.102190   0.055018  -0.077883  -0.255894  -0.172799
    14  H    0.038294  -0.320048  -0.024240   0.034602  -0.824507  -0.220019
    15  H    0.015232   0.120007   0.113040  -0.014681  -0.042365   0.060702
    16  H   -0.024965  -0.183319  -0.217157  -0.009801   0.240954  -0.029997
    17  H    0.004530   0.038088  -0.020277  -0.051137   0.021851  -0.032367
    18  H    0.009731  -0.000150  -0.000900   0.054964   0.136187   0.014016
    19  H   -0.003244  -0.008024   0.005829   0.003846   0.275933   0.024355
    20  H    0.001823  -0.000689  -0.001052  -0.080069   0.520918  -0.090274
    21  H   -0.000654   0.004149  -0.001409   0.022566   0.157582   0.013401
    22  H    0.000149  -0.001118   0.001584   0.018466   0.143783   0.035344
    23  H    0.101624  -0.073473   0.064228  -0.037857  -0.039347  -0.045669
    24  H    0.118971  -0.032472   0.092701   0.101222   0.102252  -0.007506
    25  H   -0.075460   0.030078   0.373861  -0.107696   0.002178  -0.017597
    26  H   -0.015820   0.186326   0.006647  -0.001777   0.002647  -0.030728
    27  H    0.005441   0.156511  -0.003582   0.004116  -0.004794   0.038112
    28  H    0.017734   0.102197   0.001241   0.003604   0.018640  -0.016102
               7          8          9         10         11         12
     1  C   -0.137169   0.200009  -0.021656  -0.066529   0.023645   0.020547
     2  C   -0.137540   0.160077   0.107709   0.274360   0.007906  -0.119729
     3  C   -0.184317  -0.121585   0.002547   0.048443  -0.357253  -0.166982
     4  C   -0.403999   0.003313  -0.004578   0.026974   0.033115   0.164642
     5  C    0.050585   0.003598   0.080244  -0.135816  -0.469836  -2.287447
     6  C   -0.446491   0.030510  -0.016240  -0.175666  -0.032543   0.190370
     7  C    5.571756   0.038474  -0.012148   0.011901   0.106712   0.169108
     8  H    0.038474   1.847550  -0.010702  -0.142304   0.003701  -0.004870
     9  C   -0.012148  -0.010702   4.399959  -0.116884  -0.002605   0.001455
    10  H    0.011901  -0.142304  -0.116884   1.449020  -0.002381  -0.048815
    11  H    0.106712   0.003701  -0.002605  -0.002381   2.348710   0.224759
    12  C    0.169108  -0.004870   0.001455  -0.048815   0.224759   6.634774
    13  C   -0.110905   0.001157  -0.001552   0.018815  -0.147912  -0.579690
    14  H    0.086525  -0.001341  -0.098463   0.049251   0.051597   0.215975
    15  H   -0.135251  -0.003672   0.010531  -0.000269  -0.142538  -0.005237
    16  H    0.106240   0.018946  -0.024569  -0.009503   0.098609  -0.002516
    17  H    0.027346   0.000445   0.006958  -0.046897   0.020824   0.361491
    18  H   -0.011104   0.000013   0.000029   0.007145   0.020074   0.008230
    19  H   -0.006059  -0.001884   0.000189  -0.008717  -0.004494  -0.085797
    20  H    0.007842  -0.000025   0.000335  -0.000015  -0.028849  -0.000566
    21  H   -0.006773  -0.000039  -0.000498  -0.000177   0.004454   0.033904
    22  H   -0.007585  -0.000074  -0.000137   0.000738   0.015790   0.027982
    23  H   -0.009870  -0.465151  -0.016614   0.021401  -0.004372  -0.004754
    24  H   -0.007366   0.127521   0.000372  -0.011114  -0.031315  -0.001729
    25  H    0.011682  -0.176076   0.002088   0.025191  -0.055935  -0.032572
    26  H    0.003833  -0.013873   0.142347  -0.005581   0.000484   0.000404
    27  H   -0.001026   0.012452   0.165882   0.024639  -0.000062  -0.000602
    28  H   -0.003402   0.006340   0.227460  -0.029720  -0.000255  -0.002298
              13         14         15         16         17         18
     1  C    0.011696   0.038294   0.015232  -0.024965   0.004530   0.009731
     2  C    0.102190  -0.320048   0.120007  -0.183319   0.038088  -0.000150
     3  C    0.055018  -0.024240   0.113040  -0.217157  -0.020277  -0.000900
     4  C   -0.077883   0.034602  -0.014681  -0.009801  -0.051137   0.054964
     5  C   -0.255894  -0.824507  -0.042365   0.240954   0.021851   0.136187
     6  C   -0.172799  -0.220019   0.060702  -0.029997  -0.032367   0.014016
     7  C   -0.110905   0.086525  -0.135251   0.106240   0.027346  -0.011104
     8  H    0.001157  -0.001341  -0.003672   0.018946   0.000445   0.000013
     9  C   -0.001552  -0.098463   0.010531  -0.024569   0.006958   0.000029
    10  H    0.018815   0.049251  -0.000269  -0.009503  -0.046897   0.007145
    11  H   -0.147912   0.051597  -0.142538   0.098609   0.020824   0.020074
    12  C   -0.579690   0.215975  -0.005237  -0.002516   0.361491   0.008230
    13  C    5.636462  -0.135102  -0.010596  -0.003595   0.004100   0.007997
    14  H   -0.135102   3.022626  -0.178465   0.116255   0.018608   0.003745
    15  H   -0.010596  -0.178465   2.707155  -1.156941  -0.002820  -0.001209
    16  H   -0.003595   0.116255  -1.156941   2.520090   0.004828  -0.000445
    17  H    0.004100   0.018608  -0.002820   0.004828   0.913316  -0.070418
    18  H    0.007997   0.003745  -0.001209  -0.000445  -0.070418   0.781352
    19  H    0.002434   0.006662   0.000754  -0.001095  -0.103611  -0.058011
    20  H    0.134544  -0.032879   0.016899   0.000880  -0.001419  -0.001303
    21  H   -0.068338   0.020910   0.003340   0.001381   0.002471  -0.009125
    22  H   -0.051518   0.003350  -0.002102   0.002063   0.002374   0.008160
    23  H   -0.000359  -0.006521   0.011332  -0.034311   0.002482   0.000157
    24  H   -0.001610  -0.000770  -0.006196   0.012582  -0.001092  -0.000356
    25  H    0.001111  -0.002723   0.005284  -0.006483   0.025796  -0.008250
    26  H   -0.000078  -0.005621   0.011355  -0.031654  -0.000023  -0.000002
    27  H   -0.000029   0.019316  -0.001513   0.005013   0.000093   0.000036
    28  H    0.000259  -0.072424   0.000266   0.001515  -0.000829  -0.000072
              19         20         21         22         23         24
     1  C   -0.003244   0.001823  -0.000654   0.000149   0.101624   0.118971
     2  C   -0.008024  -0.000689   0.004149  -0.001118  -0.073473  -0.032472
     3  C    0.005829  -0.001052  -0.001409   0.001584   0.064228   0.092701
     4  C    0.003846  -0.080069   0.022566   0.018466  -0.037857   0.101222
     5  C    0.275933   0.520918   0.157582   0.143783  -0.039347   0.102252
     6  C    0.024355  -0.090274   0.013401   0.035344  -0.045669  -0.007506
     7  C   -0.006059   0.007842  -0.006773  -0.007585  -0.009870  -0.007366
     8  H   -0.001884  -0.000025  -0.000039  -0.000074  -0.465151   0.127521
     9  C    0.000189   0.000335  -0.000498  -0.000137  -0.016614   0.000372
    10  H   -0.008717  -0.000015  -0.000177   0.000738   0.021401  -0.011114
    11  H   -0.004494  -0.028849   0.004454   0.015790  -0.004372  -0.031315
    12  C   -0.085797  -0.000566   0.033904   0.027982  -0.004754  -0.001729
    13  C    0.002434   0.134544  -0.068338  -0.051518  -0.000359  -0.001610
    14  H    0.006662  -0.032879   0.020910   0.003350  -0.006521  -0.000770
    15  H    0.000754   0.016899   0.003340  -0.002102   0.011332  -0.006196
    16  H   -0.001095   0.000880   0.001381   0.002063  -0.034311   0.012582
    17  H   -0.103611  -0.001419   0.002471   0.002374   0.002482  -0.001092
    18  H   -0.058011  -0.001303  -0.009125   0.008160   0.000157  -0.000356
    19  H    0.753365  -0.001846   0.005257  -0.009988   0.000692  -0.000060
    20  H   -0.001846   0.825683  -0.057948  -0.054951   0.000111   0.000099
    21  H    0.005257  -0.057948   0.711359  -0.034464  -0.000001  -0.000144
    22  H   -0.009988  -0.054951  -0.034464   0.714628   0.000034  -0.000736
    23  H    0.000692   0.000111  -0.000001   0.000034   1.352064  -0.173709
    24  H   -0.000060   0.000099  -0.000144  -0.000736  -0.173709   1.193532
    25  H    0.001275  -0.000060   0.000138  -0.000012   0.054486  -0.230113
    26  H    0.000092   0.000009  -0.000056  -0.000011   0.051852  -0.000215
    27  H    0.000020   0.000002  -0.000001   0.000002  -0.052266  -0.000105
    28  H   -0.000101  -0.000067  -0.000121   0.000004   0.000357   0.000072
              25         26         27         28
     1  C   -0.075460  -0.015820   0.005441   0.017734
     2  C    0.030078   0.186326   0.156511   0.102197
     3  C    0.373861   0.006647  -0.003582   0.001241
     4  C   -0.107696  -0.001777   0.004116   0.003604
     5  C    0.002178   0.002647  -0.004794   0.018640
     6  C   -0.017597  -0.030728   0.038112  -0.016102
     7  C    0.011682   0.003833  -0.001026  -0.003402
     8  H   -0.176076  -0.013873   0.012452   0.006340
     9  C    0.002088   0.142347   0.165882   0.227460
    10  H    0.025191  -0.005581   0.024639  -0.029720
    11  H   -0.055935   0.000484  -0.000062  -0.000255
    12  C   -0.032572   0.000404  -0.000602  -0.002298
    13  C    0.001111  -0.000078  -0.000029   0.000259
    14  H   -0.002723  -0.005621   0.019316  -0.072424
    15  H    0.005284   0.011355  -0.001513   0.000266
    16  H   -0.006483  -0.031654   0.005013   0.001515
    17  H    0.025796  -0.000023   0.000093  -0.000829
    18  H   -0.008250  -0.000002   0.000036  -0.000072
    19  H    0.001275   0.000092   0.000020  -0.000101
    20  H   -0.000060   0.000009   0.000002  -0.000067
    21  H    0.000138  -0.000056  -0.000001  -0.000121
    22  H   -0.000012  -0.000011   0.000002   0.000004
    23  H    0.054486   0.051852  -0.052266   0.000357
    24  H   -0.230113  -0.000215  -0.000105   0.000072
    25  H    0.952500   0.000227  -0.000473  -0.000179
    26  H    0.000227   0.769606  -0.029741  -0.057251
    27  H   -0.000473  -0.029741   0.768031  -0.073973
    28  H   -0.000179  -0.057251  -0.073973   0.775693
 Mulliken charges:
               1
     1  C    0.368350
     2  C   -1.135307
     3  C    0.917988
     4  C   -0.109521
     5  C   -3.568152
     6  C    0.064756
     7  C    1.429002
     8  H   -0.512508
     9  C    1.178541
    10  H   -0.157490
    11  H   -0.680029
    12  C    1.289961
    13  C    1.642079
    14  H   -0.764594
    15  H   -0.372041
    16  H   -0.393003
    17  H   -0.124710
    18  H    0.109509
    19  H    0.212230
    20  H   -0.157132
    21  H    0.198836
    22  H    0.188247
    23  H    0.303455
    24  H   -0.242718
    25  H    0.227734
    26  H    0.016603
    27  H   -0.031499
    28  H    0.101412
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.159297
     2  C   -1.292797
     3  C    0.903004
     4  C   -0.789549
     5  C   -3.568152
     6  C   -0.699838
     7  C    0.663957
     9  C    1.265057
    12  C    1.486990
    13  C    1.872030
 Electronic spatial extent (au):  <R**2>=           1433.1848
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0002    Y=              0.0755    Z=              0.0941  Tot=              0.1207
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.8542   YY=            -65.3889   ZZ=            -65.2189
   XY=             -0.2669   XZ=             -0.2228   YZ=             -0.1599
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3669   YY=              0.0984   ZZ=              0.2684
   XY=             -0.2669   XZ=             -0.2228   YZ=             -0.1599
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.9453  YYY=             -1.2402  ZZZ=             -0.7568  XYY=              1.0047
  XXY=              3.2063  XXZ=              0.0272  XZZ=             -1.2480  YZZ=              0.0061
  YYZ=              0.9585  XYZ=              0.2576
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1074.8066 YYYY=           -523.8146 ZZZZ=           -435.5024 XXXY=              2.8366
 XXXZ=             -1.1470 YYYX=             -0.3275 YYYZ=             -4.7047 ZZZX=             -4.6998
 ZZZY=              0.8771 XXYY=           -267.9286 XXZZ=           -245.5976 YYZZ=           -155.5730
 XXYZ=             -0.4025 YYXZ=              0.4521 ZZXY=             -4.3414
 N-N= 5.951463055390D+02 E-N=-2.093529500035D+03  KE= 3.864629241226D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:09:40 2021, MaxMem= 17179869184 cpu:               8.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3063   -0.3048       -0.0384   -0.0412
 2      0.3063    0.3048        0.0161    0.0143       -6.5469   -6.5415
 3      0.0384    0.0412        8.5014    8.4935       -0.0152   -0.0143
 4     -0.0161   -0.0143       -0.0000    0.0000        0.0403    0.0412
 5     -1.9545   -1.9519       -0.0403   -0.0412       -0.3060   -0.3048
 6      0.0152    0.0143        0.3060    0.3048       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9143    0.9143       -0.1237   -0.1237
 2     -0.0430   -0.0430        0.0000    0.0000       -0.1237   -0.1237
 3     -0.0430   -0.0430        0.9143    0.9143       -0.0000    0.0000
 4      0.9143    0.9143        0.0430    0.0430      -19.6245  -19.6245
 5      0.1237    0.1237       25.4804   25.4804       -0.0430   -0.0430
 6     -5.8558   -5.8558       -0.1237   -0.1237       -0.9143   -0.9143
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1197    0.0000        0.7965    1.2191        1.0768    0.1650
 2     -1.4673   -1.2191       -0.1753   -0.0574       26.6385   26.1661
 3     -0.1397   -0.1650      -33.9337  -33.9738        0.3842    0.0574
 4      0.6555    0.0574        0.3095    0.0000        0.2763   -0.1650
 5      7.1069    7.8078       -0.2650    0.1650        0.9691    1.2191
 6      0.2475   -0.0574       -1.1823   -1.2191        0.2559    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6337    0.0000        5.7803    6.6850       -4.1159   -3.9899
 2     -6.1217   -6.6850        9.2327    8.9056        6.2022    6.0430
 3      3.4236    3.9899       -7.4912   -7.8900       -9.4990   -8.9056
 4     -8.9036   -8.9056        0.6340    0.0000        3.9168    3.9899
 5      0.4713    1.8471       -4.2851   -3.9899        6.7106    6.6850
 6      9.5037    8.9056       -6.3323   -6.6850        0.1282    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -16.9733  -17.3695       24.4455   24.2869       13.6172   13.5152
 2    -26.2021  -25.7228       31.1027   30.9712       13.4578   13.5152
 3    -25.4615  -25.7228       25.1200   24.2869       14.6323   14.6821
 4     -5.7302   -6.6843        9.1995    8.3533       -5.0833   -5.5946
 5      0.3692    1.1669        0.5393    0.0107       -8.9901   -8.3533
 6      3.7488    5.5839       -1.2397   -1.1669        6.3222    6.6843
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.2850                 0.4662                 0.1252
  Dep-P Fr= 1--      0.7053                 0.7385                 0.6965
  Dep-U Fr= 1--      0.8272                 0.8496                 0.8211
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0393                 0.0660                 0.0171
 AlphaG Fr= 1--     -0.0009                 0.0007                 0.0001
 Gamma2 Fr= 1--     -0.1070                -0.0390                -0.0079
 Delta2 Fr= 1--      0.0586                -0.0906                -0.0303
 Raman1 Fr= 1--       1.140                  1.865                  0.501
 ROA1   Fr= 1--      -8.396                 -6.644                 -1.731
 CID1   Fr= 1--      -7.366                 -3.563                 -3.458
 Raman2 Fr= 1--       0.471                  0.792                  0.206
 ROA2   Fr= 1--      -3.037                 -0.212                  0.052
 CID2   Fr= 1--      -6.443                 -0.267                  0.255
 Raman3 Fr= 1--       0.943                  1.584                  0.411
 ROA3   Fr= 1--      -8.396                 -6.644                 -1.731
 CID3   Fr= 1--      -8.906                 -4.194                 -4.212
 RC180  Fr= 1--       0.654                  0.699                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3375                 0.3161                 0.0708
  Dep-P Fr= 1--      0.7122                 0.6379                 0.2631
  Dep-U Fr= 1--      0.8319                 0.7789                 0.4166
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0008
 Beta2  Fr= 1--      0.0468                 0.0410                 0.0049
 AlphaG Fr= 1--      0.0011                 0.0049                 0.0000
 Gamma2 Fr= 1--     -0.0989                -0.0602                -0.0275
 Delta2 Fr= 1--     -0.0125                -0.0989                 0.0091
 Raman1 Fr= 1--       1.350                  1.264                  0.283
 ROA1   Fr= 1--      -9.890                 -8.946                 -2.353
 CID1   Fr= 1--      -7.325                 -7.076                 -8.315
 Raman2 Fr= 1--       0.562                  0.492                  0.059
 ROA2   Fr= 1--      -2.272                 -0.653                 -0.734
 CID2   Fr= 1--      -4.046                 -1.327                -12.446
 Raman3 Fr= 1--       1.123                  0.985                  0.118
 ROA3   Fr= 1--      -9.890                 -8.946                 -2.353
 CID3   Fr= 1--      -8.805                 -9.084                -19.961
 RC180  Fr= 1--       0.664                  0.558                 -0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      0.8461                 0.5933                 1.7398
  Dep-P Fr= 1--      0.3217                 0.2770                 0.4622
  Dep-U Fr= 1--      0.4868                 0.4339                 0.6322
 Alpha2 Fr= 1--      0.0081                 0.0065                 0.0101
 Beta2  Fr= 1--      0.0687                 0.0429                 0.1833
 AlphaG Fr= 1--     -0.0131                 0.0160                 0.0008
 Gamma2 Fr= 1--      0.0530                -0.0321                -0.4520
 Delta2 Fr= 1--      0.1185                -0.1082                -0.2079
 Raman1 Fr= 1--       3.384                  2.373                  6.959
 ROA1   Fr= 1--       8.878                 -6.544                -50.044
 CID1   Fr= 1--       2.623                 -2.758                 -7.191
 Raman2 Fr= 1--       0.824                  0.515                  2.200
 ROA2   Fr= 1--       0.323                  0.095                 -9.185
 CID2   Fr= 1--       0.392                  0.184                 -4.176
 Raman3 Fr= 1--       1.648                  1.030                  4.399
 ROA3   Fr= 1--       8.878                 -6.544                -50.044
 CID3   Fr= 1--       5.388                 -6.355                -11.375
 RC180  Fr= 1--      -0.026                 -0.132                  0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      1.8606                 0.2399                 1.3028
  Dep-P Fr= 1--      0.1819                 0.7458                 0.7422
  Dep-U Fr= 1--      0.3078                 0.8544                 0.8520
 Alpha2 Fr= 1--      0.0265                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0955                 0.0342                 0.1850
 AlphaG Fr= 1--      0.0079                -0.0000                -0.0009
 Gamma2 Fr= 1--      0.5175                 0.0740                 0.0793
 Delta2 Fr= 1--      0.2252                 0.0122                 0.0138
 Raman1 Fr= 1--       7.443                  0.959                  5.211
 ROA1   Fr= 1--      56.883                  7.496                  8.053
 CID1   Fr= 1--       7.643                  7.813                  1.545
 Raman2 Fr= 1--       1.145                  0.410                  2.220
 ROA2   Fr= 1--      10.618                  1.679                  1.793
 CID2   Fr= 1--       9.270                  4.096                  0.808
 Raman3 Fr= 1--       2.291                  0.820                  4.440
 ROA3   Fr= 1--      56.883                  7.496                  8.053
 CID3   Fr= 1--      24.830                  9.145                  1.814
 RC180  Fr= 1--      -0.384                  0.709                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      3.8375                 1.2606                 1.9027
  Dep-P Fr= 1--      0.1596                 0.1837                 0.6578
  Dep-U Fr= 1--      0.2752                 0.3104                 0.7936
 Alpha2 Fr= 1--      0.0579                 0.0179                 0.0031
 Beta2  Fr= 1--      0.1760                 0.0652                 0.2517
 AlphaG Fr= 1--      0.0227                 0.0019                 0.0009
 Gamma2 Fr= 1--      0.2416                -0.2138                 0.0961
 Delta2 Fr= 1--      0.1501                -0.1300                 0.0629
 Raman1 Fr= 1--      15.350                  5.043                  7.611
 ROA1   Fr= 1--      27.998                -24.686                 11.242
 CID1   Fr= 1--       1.824                 -4.896                  1.477
 Raman2 Fr= 1--       2.112                  0.783                  3.020
 ROA2   Fr= 1--       4.597                 -4.092                  1.804
 CID2   Fr= 1--       2.176                 -5.229                  0.597
 Raman3 Fr= 1--       4.225                  1.565                  6.040
 ROA3   Fr= 1--      27.998                -24.686                 11.242
 CID3   Fr= 1--       6.627                -15.773                  1.861
 RC180  Fr= 1--      -0.450                 -0.379                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     14.4145                 5.9625                 5.7247
  Dep-P Fr= 1--      0.0089                 0.0786                 0.1291
  Dep-U Fr= 1--      0.0177                 0.1458                 0.2287
 Alpha2 Fr= 1--      0.3137                 0.1100                 0.0933
 Beta2  Fr= 1--      0.0425                 0.1449                 0.2182
 AlphaG Fr= 1--     -0.0051                 0.0041                -0.1494
 Gamma2 Fr= 1--      0.1221                 0.2617                -2.1858
 Delta2 Fr= 1--      0.0623                 0.1559                -1.5546
 Raman1 Fr= 1--      57.658                 23.850                 22.899
 ROA1   Fr= 1--      13.716                 30.110               -259.584
 CID1   Fr= 1--       0.238                  1.262                -11.336
 Raman2 Fr= 1--       0.510                  1.739                  2.619
 ROA2   Fr= 1--       2.431                  5.032                -40.023
 CID2   Fr= 1--       4.769                  2.894                -15.282
 Raman3 Fr= 1--       1.020                  3.478                  5.238
 ROA3   Fr= 1--      13.716                 30.110               -259.584
 CID3   Fr= 1--      13.452                  8.658                -49.560
 RC180  Fr= 1--      -0.965                 -0.708                 -0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.5122                 7.7010                 3.5898
  Dep-P Fr= 1--      0.1089                 0.6503                 0.2542
  Dep-U Fr= 1--      0.1964                 0.7881                 0.4053
 Alpha2 Fr= 1--      0.0430                 0.0138                 0.0420
 Beta2  Fr= 1--      0.0822                 1.0115                 0.2425
 AlphaG Fr= 1--      0.0393                 0.1074                 0.0271
 Gamma2 Fr= 1--     -0.0078                 5.3714                -2.1409
 Delta2 Fr= 1--      0.1341                 2.5643                -0.7757
 Raman1 Fr= 1--      10.049                 30.804                 14.359
 ROA1   Fr= 1--       3.537                597.707               -230.353
 CID1   Fr= 1--       0.352                 19.404                -16.042
 Raman2 Fr= 1--       0.987                 12.138                  2.910
 ROA2   Fr= 1--      -1.261                108.399                -45.177
 CID2   Fr= 1--      -1.278                  8.930                -15.523
 Raman3 Fr= 1--       1.973                 24.277                  5.820
 ROA3   Fr= 1--       3.537                597.707               -230.353
 CID3   Fr= 1--       1.793                 24.621                -39.576
 RC180  Fr= 1--      -0.607                  0.576                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.0439                 4.3034                 3.9229
  Dep-P Fr= 1--      0.7492                 0.4065                 0.7183
  Dep-U Fr= 1--      0.8566                 0.5780                 0.8360
 Alpha2 Fr= 1--      0.0000                 0.0311                 0.0021
 Beta2  Fr= 1--      0.1490                 0.4146                 0.5466
 AlphaG Fr= 1--      0.0001                -0.0213                -0.0001
 Gamma2 Fr= 1--      0.1823                -3.6837                -0.1444
 Delta2 Fr= 1--     -0.1472                -2.2012                 0.0899
 Raman1 Fr= 1--       4.176                 17.214                 15.691
 ROA1   Fr= 1--      12.793               -424.071                -10.988
 CID1   Fr= 1--       3.064                -24.636                 -0.700
 Raman2 Fr= 1--       1.788                  4.975                  6.559
 ROA2   Fr= 1--       5.554                -70.798                 -4.185
 CID2   Fr= 1--       3.105                -14.231                 -0.638
 Raman3 Fr= 1--       3.577                  9.950                 13.119
 ROA3   Fr= 1--      12.793               -424.071                -10.988
 CID3   Fr= 1--       3.577                -42.620                 -0.838
 RC180  Fr= 1--       0.713                  0.156                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      1.9469                 1.6026                 1.4279
  Dep-P Fr= 1--      0.5180                 0.6969                 0.5012
  Dep-U Fr= 1--      0.6824                 0.8214                 0.6678
 Alpha2 Fr= 1--      0.0088                 0.0015                 0.0070
 Beta2  Fr= 1--      0.2214                 0.2194                 0.1589
 AlphaG Fr= 1--      0.0108                -0.0024                 0.0054
 Gamma2 Fr= 1--     -1.5920                 2.2491                -0.6143
 Delta2 Fr= 1--     -1.2687                 1.8067                 0.0782
 Raman1 Fr= 1--       7.788                  6.411                  5.711
 ROA1   Fr= 1--    -193.430                273.725                -56.475
 CID1   Fr= 1--     -24.838                 42.699                 -9.888
 Raman2 Fr= 1--       2.657                  2.633                  1.907
 ROA2   Fr= 1--     -28.058                 39.523                -15.370
 CID2   Fr= 1--     -10.559                 15.012                 -8.060
 Raman3 Fr= 1--       5.315                  5.266                  3.814
 ROA3   Fr= 1--    -193.430                273.725                -56.475
 CID3   Fr= 1--     -36.396                 51.984                -14.808
 RC180  Fr= 1--       0.365                  0.643                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      5.9568                 0.4598                 0.9067
  Dep-P Fr= 1--      0.3886                 0.7359                 0.6996
  Dep-U Fr= 1--      0.5596                 0.8478                 0.8233
 Alpha2 Fr= 1--      0.0459                 0.0001                 0.0008
 Beta2  Fr= 1--      0.5556                 0.0650                 0.1244
 AlphaG Fr= 1--     -0.0512                 0.0019                 0.0000
 Gamma2 Fr= 1--      1.4206                 0.2468                -0.2547
 Delta2 Fr= 1--     -0.0950                -0.0105                 0.3566
 Raman1 Fr= 1--      23.827                  1.839                  3.627
 ROA1   Fr= 1--     133.338                 23.355                -13.037
 CID1   Fr= 1--       5.596                 12.698                 -3.595
 Raman2 Fr= 1--       6.667                  0.780                  1.493
 ROA2   Fr= 1--      34.855                  6.007                 -8.965
 CID2   Fr= 1--       5.228                  7.704                 -6.005
 Raman3 Fr= 1--      13.335                  1.559                  2.986
 ROA3   Fr= 1--     133.338                 23.355                -13.037
 CID3   Fr= 1--       9.999                 14.977                 -4.366
 RC180  Fr= 1--       0.119                  0.696                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      6.4448                 4.3680                 1.0676
  Dep-P Fr= 1--      0.4963                 0.4444                 0.5060
  Dep-U Fr= 1--      0.6633                 0.6154                 0.6720
 Alpha2 Fr= 1--      0.0324                 0.0274                 0.0051
 Beta2  Fr= 1--      0.7125                 0.4480                 0.1196
 AlphaG Fr= 1--      0.0117                -0.0212                 0.0302
 Gamma2 Fr= 1--     -0.3515                 1.5335                -2.4583
 Delta2 Fr= 1--      0.5606                 0.9264                -1.3918
 Raman1 Fr= 1--      25.779                 17.472                  4.271
 ROA1   Fr= 1--     -15.802                176.864               -280.538
 CID1   Fr= 1--      -0.613                 10.123                -65.691
 Raman2 Fr= 1--       8.550                  5.376                  1.435
 ROA2   Fr= 1--     -12.921                 29.393                -47.866
 CID2   Fr= 1--      -1.511                  5.468                -33.359
 Raman3 Fr= 1--      17.101                 10.752                  2.870
 ROA3   Fr= 1--     -15.802                176.864               -280.538
 CID3   Fr= 1--      -0.924                 16.450                -97.756
 RC180  Fr= 1--       0.327                  0.231                  0.344
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      4.4580                 2.9761                 7.0109
  Dep-P Fr= 1--      0.5894                 0.6393                 0.6390
  Dep-U Fr= 1--      0.7417                 0.7799                 0.7797
 Alpha2 Fr= 1--      0.0133                 0.0060                 0.0141
 Beta2  Fr= 1--      0.5511                 0.3869                 0.9111
 AlphaG Fr= 1--      0.0122                -0.0558                 0.0470
 Gamma2 Fr= 1--     -1.4803                -0.2683                 1.9538
 Delta2 Fr= 1--     -0.7964                -0.5869                 0.9399
 Raman1 Fr= 1--      17.832                 11.904                 28.043
 ROA1   Fr= 1--    -167.594                -44.533                217.639
 CID1   Fr= 1--      -9.399                 -3.741                  7.761
 Raman2 Fr= 1--       6.613                  4.642                 10.933
 ROA2   Fr= 1--     -29.157                 -1.743                 39.372
 CID2   Fr= 1--      -4.409                 -0.375                  3.601
 Raman3 Fr= 1--      13.226                  9.285                 21.867
 ROA3   Fr= 1--    -167.594                -44.533                217.639
 CID3   Fr= 1--     -12.672                 -4.796                  9.953
 RC180  Fr= 1--       0.483                  0.560                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      4.6138                 2.5393                 1.5442
  Dep-P Fr= 1--      0.7500                 0.6583                 0.2309
  Dep-U Fr= 1--      0.8571                 0.7939                 0.3751
 Alpha2 Fr= 1--      0.0000                 0.0042                 0.0193
 Beta2  Fr= 1--      0.6591                 0.3360                 0.0965
 AlphaG Fr= 1--      0.0001                -0.0158                -0.0193
 Gamma2 Fr= 1--      1.0056                -0.8984                -0.6423
 Delta2 Fr= 1--      0.0198                 0.1179                -0.0482
 Raman1 Fr= 1--      18.455                 10.157                  6.177
 ROA1   Fr= 1--      97.171                -82.476                -63.204
 CID1   Fr= 1--       5.265                 -8.120                -10.233
 Raman2 Fr= 1--       7.909                  4.032                  1.159
 ROA2   Fr= 1--      23.977                -22.505                -15.030
 CID2   Fr= 1--       3.032                 -5.582                -12.973
 Raman3 Fr= 1--      15.818                  8.064                  2.317
 ROA3   Fr= 1--      97.171                -82.476                -63.204
 CID3   Fr= 1--       6.143                -10.228                -27.277
 RC180  Fr= 1--       0.714                  0.588                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.0386                 3.0054                 6.0657
  Dep-P Fr= 1--      0.3375                 0.5670                 0.4551
  Dep-U Fr= 1--      0.5046                 0.7237                 0.6255
 Alpha2 Fr= 1--      0.0278                 0.0104                 0.0364
 Beta2  Fr= 1--      0.2556                 0.3625                 0.6324
 AlphaG Fr= 1--      0.0813                 0.0135                -0.0155
 Gamma2 Fr= 1--     -0.2074                 0.4808                 0.8355
 Delta2 Fr= 1--     -0.6854                 0.7916                 0.1560
 Raman1 Fr= 1--      12.154                 12.021                 24.263
 ROA1   Fr= 1--     -41.839                 71.488                 85.200
 CID1   Fr= 1--      -3.442                  5.947                  3.512
 Raman2 Fr= 1--       3.067                  4.350                  7.588
 ROA2   Fr= 1--       0.507                  5.207                 18.804
 CID2   Fr= 1--       0.165                  1.197                  2.478
 Raman3 Fr= 1--       6.134                  8.700                 15.177
 ROA3   Fr= 1--     -41.839                 71.488                 85.200
 CID3   Fr= 1--      -6.821                  8.217                  5.614
 RC180  Fr= 1--       0.009                  0.447                  0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      3.6453                 2.6678                 1.8917
  Dep-P Fr= 1--      0.7024                 0.6703                 0.6723
  Dep-U Fr= 1--      0.8252                 0.8026                 0.8040
 Alpha2 Fr= 1--      0.0030                 0.0038                 0.0026
 Beta2  Fr= 1--      0.5014                 0.3569                 0.2535
 AlphaG Fr= 1--      0.0015                 0.0064                -0.0008
 Gamma2 Fr= 1--      3.9852                -2.1197                -0.8515
 Delta2 Fr= 1--      2.4591                -1.1278                -0.7704
 Raman1 Fr= 1--      14.581                 10.671                  7.567
 ROA1   Fr= 1--     461.274               -239.582               -106.401
 CID1   Fr= 1--      31.635                -22.452                -14.062
 Raman2 Fr= 1--       6.016                  4.282                  3.042
 ROA2   Fr= 1--      75.973                -41.851                -14.273
 CID2   Fr= 1--      12.628                 -9.773                 -4.692
 Raman3 Fr= 1--      12.033                  8.564                  6.084
 ROA3   Fr= 1--     461.274               -239.582               -106.401
 CID3   Fr= 1--      38.335                -27.974                -17.490
 RC180  Fr= 1--       0.650                  0.605                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      1.6699                 2.8388                 2.2438
  Dep-P Fr= 1--      0.7046                 0.6889                 0.4623
  Dep-U Fr= 1--      0.8267                 0.8158                 0.6323
 Alpha2 Fr= 1--      0.0013                 0.0030                 0.0131
 Beta2  Fr= 1--      0.2301                 0.3860                 0.2365
 AlphaG Fr= 1--      0.0023                -0.0120                 0.0321
 Gamma2 Fr= 1--      1.8224                -0.4311                 1.2101
 Delta2 Fr= 1--      0.2824                -0.4913                -0.0629
 Raman1 Fr= 1--       6.680                 11.355                  8.975
 ROA1   Fr= 1--     183.991                -57.110                114.154
 CID1   Fr= 1--      27.546                 -5.029                 12.719
 Raman2 Fr= 1--       2.761                  4.632                  2.838
 ROA2   Fr= 1--      41.478                 -6.417                 29.545
 CID2   Fr= 1--      15.023                 -1.385                 10.412
 Raman3 Fr= 1--       5.522                  9.264                  5.675
 ROA3   Fr= 1--     183.991                -57.110                114.154
 CID3   Fr= 1--      33.320                 -6.165                 20.114
 RC180  Fr= 1--       0.653                  0.632                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.2844                 0.1790                 0.3325
  Dep-P Fr= 1--      0.1681                 0.7109                 0.0839
  Dep-U Fr= 1--      0.2878                 0.8310                 0.1548
 Alpha2 Fr= 1--      0.0042                 0.0001                 0.0061
 Beta2  Fr= 1--      0.0136                 0.0248                 0.0086
 AlphaG Fr= 1--      0.0065                 0.0002                -0.0008
 Gamma2 Fr= 1--      0.1070                -0.1010                -0.0311
 Delta2 Fr= 1--      0.0552                 0.0017                -0.0189
 Raman1 Fr= 1--       1.137                  0.716                  1.330
 ROA1   Fr= 1--      12.042                 -9.637                 -3.589
 CID1   Fr= 1--      10.587                -13.456                 -2.699
 Raman2 Fr= 1--       0.164                  0.298                  0.103
 ROA2   Fr= 1--       2.127                 -2.437                 -0.595
 CID2   Fr= 1--      12.997                 -8.189                 -5.783
 Raman3 Fr= 1--       0.327                  0.595                  0.206
 ROA3   Fr= 1--      12.042                 -9.637                 -3.589
 CID3   Fr= 1--      36.783                -16.193                -17.430
 RC180  Fr= 1--      -0.424                  0.662                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.4710                 7.4196                 1.9055
  Dep-P Fr= 1--      0.7360                 0.7500                 0.7419
  Dep-U Fr= 1--      0.8479                 0.8571                 0.8519
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0003
 Beta2  Fr= 1--      0.2079                 1.0599                 0.2705
 AlphaG Fr= 1--     -0.0026                -0.0000                 0.0022
 Gamma2 Fr= 1--      0.3225                -0.6586                -0.8688
 Delta2 Fr= 1--      0.3736                 0.4882                 0.0042
 Raman1 Fr= 1--       5.884                 29.678                  7.622
 ROA1   Fr= 1--      42.919                -47.606                -83.274
 CID1   Fr= 1--       7.294                 -1.604                -10.926
 Raman2 Fr= 1--       2.495                 12.719                  3.246
 ROA2   Fr= 1--       4.752                -19.712                -20.886
 CID2   Fr= 1--       1.905                 -1.550                 -6.433
 Raman3 Fr= 1--       4.989                 25.439                  6.493
 ROA3   Fr= 1--      42.919                -47.606                -83.274
 CID3   Fr= 1--       8.602                 -1.871                -12.826
 RC180  Fr= 1--       0.696                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      3.0762                 3.1731                11.4362
  Dep-P Fr= 1--      0.7497                 0.6627                 0.7469
  Dep-U Fr= 1--      0.8570                 0.7972                 0.8551
 Alpha2 Fr= 1--      0.0000                 0.0049                 0.0006
 Beta2  Fr= 1--      0.4394                 0.4216                 1.6298
 AlphaG Fr= 1--     -0.0002                 0.0023                -0.0010
 Gamma2 Fr= 1--      2.2432                -1.1853                 3.1637
 Delta2 Fr= 1--      1.3793                -0.9669                 0.1809
 Raman1 Fr= 1--      12.305                 12.693                 45.745
 ROA1   Fr= 1--     259.483               -144.731                309.505
 CID1   Fr= 1--      21.088                -11.403                  6.766
 Raman2 Fr= 1--       5.272                  5.059                 19.558
 ROA2   Fr= 1--      42.802                -20.712                 74.482
 CID2   Fr= 1--       8.118                 -4.094                  3.808
 Raman3 Fr= 1--      10.545                 10.118                 39.116
 ROA3   Fr= 1--     259.483               -144.731                309.505
 CID3   Fr= 1--      24.608                -14.304                  7.912
 RC180  Fr= 1--       0.714                  0.594                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      1.9821                 2.2816                 3.6094
  Dep-P Fr= 1--      0.7062                 0.7390                 0.3249
  Dep-U Fr= 1--      0.8278                 0.8499                 0.4904
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.0343
 Beta2  Fr= 1--      0.2735                 0.3232                 0.2950
 AlphaG Fr= 1--     -0.0056                -0.0035                -0.0005
 Gamma2 Fr= 1--     -2.4863                -1.2404                 1.5548
 Delta2 Fr= 1--     -0.5810                -0.5732                 0.5570
 Raman1 Fr= 1--       7.928                  9.127                 14.438
 ROA1   Fr= 1--    -257.271               -137.426                167.087
 CID1   Fr= 1--     -32.450                -15.058                 11.573
 Raman2 Fr= 1--       3.282                  3.878                  3.540
 ROA2   Fr= 1--     -55.022                -25.185                 32.860
 CID2   Fr= 1--     -16.767                 -6.494                  9.281
 Raman3 Fr= 1--       6.563                  7.757                  7.081
 ROA3   Fr= 1--    -257.271               -137.426                167.087
 CID3   Fr= 1--     -39.200                -17.717                 23.597
 RC180  Fr= 1--       0.656                  0.700                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    138.3318                 2.3674                58.0952
  Dep-P Fr= 1--      0.0166                 0.7366                 0.5756
  Dep-U Fr= 1--      0.0327                 0.8483                 0.7307
 Alpha2 Fr= 1--      2.9568                 0.0005                 0.1905
 Beta2  Fr= 1--      0.7539                 0.3347                 7.0746
 AlphaG Fr= 1--      0.0276                -0.0048                -0.2040
 Gamma2 Fr= 1--     -1.0763                 3.5729               -12.0590
 Delta2 Fr= 1--     -0.3778                 2.1482               -11.2465
 Raman1 Fr= 1--     553.327                  9.470                232.381
 ROA1   Fr= 1--    -115.413                411.746              -1517.555
 CID1   Fr= 1--      -0.209                 43.480                 -6.530
 Raman2 Fr= 1--       9.046                  4.017                 84.896
 ROA2   Fr= 1--     -22.809                 68.565               -199.445
 CID2   Fr= 1--      -2.521                 17.070                 -2.349
 Raman3 Fr= 1--      18.092                  8.033                169.791
 ROA3   Fr= 1--    -115.413                411.746              -1517.555
 CID3   Fr= 1--      -6.379                 51.255                 -8.938
 RC180  Fr= 1--      -0.935                  0.697                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    115.2239               177.2052                41.0648
  Dep-P Fr= 1--      0.1440                 0.1221                 0.4271
  Dep-U Fr= 1--      0.2518                 0.2177                 0.5985
 Alpha2 Fr= 1--      1.8084                 2.9379                 0.2753
 Beta2  Fr= 1--      4.8349                 6.4287                 4.0965
 AlphaG Fr= 1--      0.3484                -0.2081                 0.2990
 Gamma2 Fr= 1--     16.6720                 0.7833                 4.7525
 Delta2 Fr= 1--      6.6332                 5.7275                 4.7730
 Raman1 Fr= 1--     460.896                708.821                164.259
 ROA1   Fr= 1--    1812.774                258.479                608.970
 CID1   Fr= 1--       3.933                  0.365                  3.707
 Raman2 Fr= 1--      58.019                 77.145                 49.158
 ROA2   Fr= 1--     347.062                -27.020                 75.875
 CID2   Fr= 1--       5.982                 -0.350                  1.543
 Raman3 Fr= 1--     116.038                154.290                 98.317
 ROA3   Fr= 1--    1812.774                258.479                608.970
 CID3   Fr= 1--      15.622                  1.675                  6.194
 RC180  Fr= 1--      -0.496                 -0.565                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    181.4507               197.7136               104.9798
  Dep-P Fr= 1--      0.0942                 0.1288                 0.2294
  Dep-U Fr= 1--      0.1721                 0.2283                 0.3732
 Alpha2 Fr= 1--      3.2226                 3.2236                 1.3170
 Beta2  Fr= 1--      5.2046                 7.5214                 6.5306
 AlphaG Fr= 1--      0.0346                -0.6669                 0.0977
 Gamma2 Fr= 1--     -6.8379               -16.6531                -3.6949
 Delta2 Fr= 1--      2.1144                -8.3528                -5.7527
 Raman1 Fr= 1--     725.803                790.854                419.919
 ROA1   Fr= 1--    -588.776              -1865.986               -538.800
 CID1   Fr= 1--      -0.811                 -2.359                 -1.283
 Raman2 Fr= 1--      62.456                 90.257                 78.367
 ROA2   Fr= 1--    -181.024               -332.851                -42.656
 CID2   Fr= 1--      -2.898                 -3.688                 -0.544
 Raman3 Fr= 1--     124.912                180.515                156.735
 ROA3   Fr= 1--    -588.776              -1865.986               -538.800
 CID3   Fr= 1--      -4.714                -10.337                 -3.438
 RC180  Fr= 1--      -0.656                 -0.543                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     15.9067               240.1231                79.8962
  Dep-P Fr= 1--      0.5333                 0.0296                 0.3739
  Dep-U Fr= 1--      0.6956                 0.0575                 0.5443
 Alpha2 Fr= 1--      0.0666                 4.9779                 0.6480
 Beta2  Fr= 1--      1.8442                 2.3025                 7.2481
 AlphaG Fr= 1--     -0.1309                -0.5965                 0.2212
 Gamma2 Fr= 1--      4.7367                13.0723               -50.3756
 Delta2 Fr= 1--      0.8533                 7.0119               -32.1292
 Raman1 Fr= 1--      63.627                960.493                319.585
 ROA1   Fr= 1--     482.027               1479.324              -5864.189
 CID1   Fr= 1--       7.576                  1.540                -18.349
 Raman2 Fr= 1--      22.131                 27.630                 86.977
 ROA2   Fr= 1--     106.854                257.641               -951.980
 CID2   Fr= 1--       4.828                  9.325                -10.945
 Raman3 Fr= 1--      44.262                 55.261                173.954
 ROA3   Fr= 1--     482.027               1479.324              -5864.189
 CID3   Fr= 1--      10.890                 26.770                -33.711
 RC180  Fr= 1--       0.391                 -0.885                  0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    143.8957                73.9514                66.4175
  Dep-P Fr= 1--      0.7500                 0.6674                 0.7218
  Dep-U Fr= 1--      0.8571                 0.8005                 0.8384
 Alpha2 Fr= 1--      0.0000                 0.1085                 0.0322
 Beta2  Fr= 1--     20.5565                 9.8669                 9.2809
 AlphaG Fr= 1--      0.0007                 0.0643                -0.0553
 Gamma2 Fr= 1--     -6.2195                45.0395                 0.4799
 Delta2 Fr= 1--     -3.1104                29.2698                 2.8589
 Raman1 Fr= 1--     575.583                295.806                265.670
 ROA1   Fr= 1--    -696.604               5260.428                137.559
 CID1   Fr= 1--      -1.210                 17.783                  0.518
 Raman2 Fr= 1--     246.678                118.403                111.371
 ROA2   Fr= 1--    -124.385                846.790                -11.353
 CID2   Fr= 1--      -0.504                  7.152                 -0.102
 Raman3 Fr= 1--     493.355                236.807                222.742
 ROA3   Fr= 1--    -696.604               5260.428                137.559
 CID3   Fr= 1--      -1.412                 22.214                  0.618
 RC180  Fr= 1--       0.714                  0.601                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     21.0264                50.4227               109.4452
  Dep-P Fr= 1--      0.7361                 0.4806                 0.4323
  Dep-U Fr= 1--      0.8480                 0.6492                 0.6036
 Alpha2 Fr= 1--      0.0050                 0.2719                 0.7193
 Beta2  Fr= 1--      2.9717                 5.4554                11.0110
 AlphaG Fr= 1--     -0.0153                -0.0514                 0.1725
 Gamma2 Fr= 1--     -3.1515                 1.7356                 2.6750
 Delta2 Fr= 1--     -1.9508                 0.5822                 1.6275
 Raman1 Fr= 1--      84.106                201.691                437.781
 ROA1   Fr= 1--    -364.975                185.243                308.881
 CID1   Fr= 1--      -4.339                  0.918                  0.706
 Raman2 Fr= 1--      35.661                 65.465                132.132
 ROA2   Fr= 1--     -60.030                 36.996                 51.180
 CID2   Fr= 1--      -1.683                  0.565                  0.387
 Raman3 Fr= 1--      71.322                130.930                264.263
 ROA3   Fr= 1--    -364.975                185.243                308.881
 CID3   Fr= 1--      -5.117                  1.415                  1.169
 RC180  Fr= 1--       0.696                  0.298                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124237D+03 -0.824937D-01  0.609555D+00
      2  -0.824937D-01  0.111154D+03 -0.286799D-01
      3   0.609555D+00 -0.286799D-01  0.107250D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.231139D+01  0.110298D+01  0.256266D+01
      2   0.288697D+01 -0.710088D+00  0.606205D+01
      3   0.412237D+01  0.284358D+01 -0.163363D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439529D+01 -0.208484D+02  0.108801D+02
      2  -0.648712D+01  0.107256D+02 -0.380200D+01
      3   0.108824D+02  0.101228D+02 -0.707811D+01
      4  -0.284265D+02 -0.978603D+01  0.285209D+01
      5   0.178385D+02  0.191786D+01  0.159367D+02
      6   0.988994D+00  0.432328D+01 -0.413960D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.932740D+00 -0.263576D+01  0.117899D+01 -0.309809D+01  0.643388D-01
      2  -0.263576D+01 -0.430132D+00  0.117041D+01  0.643388D-01  0.301317D+01
      3   0.117899D+01  0.117041D+01  0.282198D+01  0.161047D+01 -0.124860D+01
                 6             7             8             9            10 
      1   0.161047D+01  0.968695D+00  0.195749D+01  0.407852D+01 -0.216424D+00
      2  -0.124860D+01  0.195749D+01 -0.190833D+01 -0.204366D+01  0.336403D+01
      3  -0.153748D+01  0.407852D+01 -0.204366D+01 -0.168232D+00  0.151144D+01
                11            12            13            14            15 
      1   0.336403D+01  0.151144D+01  0.413430D+01  0.647704D+00  0.116561D+00
      2   0.130092D+01 -0.149526D+00  0.647704D+00 -0.495365D+01  0.558067D+00
      3  -0.149526D+00 -0.201383D+01  0.116561D+00  0.558067D+00  0.107191D+01
                16            17            18            19            20 
      1   0.245864D+01  0.442877D-01 -0.222752D+01  0.799460D+00  0.169645D+01
      2   0.442877D-01  0.147173D+01  0.124399D+01  0.169645D+01  0.563825D+00
      3  -0.222752D+01  0.124399D+01 -0.590264D+01 -0.724758D+00 -0.320787D+01
                21            22            23            24            25 
      1  -0.724758D+00  0.209092D+01  0.476231D+00 -0.303636D+01 -0.606241D+00
      2  -0.320787D+01  0.476231D+00 -0.353538D+01  0.140925D+01 -0.370249D+01
      3  -0.668778D+00 -0.303636D+01  0.140925D+01 -0.242919D+01 -0.847222D+00
                26            27            28            29            30 
      1  -0.370249D+01 -0.847222D+00 -0.238547D+01 -0.219099D+01  0.683651D+00
      2   0.189771D+01 -0.372713D+01 -0.219099D+01 -0.177780D+01  0.444521D+01
      3  -0.372713D+01 -0.418462D+00  0.683651D+00  0.444521D+01 -0.130051D+01
                31            32            33            34            35 
      1  -0.249350D+01 -0.161202D+01  0.450307D+01  0.791996D+00  0.514027D+01
      2  -0.161202D+01  0.151976D+01  0.533347D+00  0.514027D+01 -0.538910D+00
      3   0.450307D+01  0.533347D+00  0.256972D+01 -0.145093D+01  0.217027D+01
                36            37            38            39            40 
      1  -0.145093D+01  0.446166D+01  0.454108D+01  0.315766D+01  0.540246D+01
      2   0.217027D+01  0.454108D+01  0.137876D+01 -0.150500D+01  0.237752D+01
      3  -0.834252D+00  0.315766D+01 -0.150500D+01  0.575908D+00 -0.211457D+01
                41            42            43            44            45 
      1   0.237752D+01 -0.211457D+01  0.411969D+01 -0.201062D+01  0.227303D+00
      2  -0.291417D+01  0.288622D+01 -0.201062D+01  0.392523D+01 -0.256060D+01
      3   0.288622D+01 -0.241574D+01  0.227303D+00 -0.256060D+01 -0.199979D+01
                46            47            48            49            50 
      1  -0.356741D+01 -0.312139D+01 -0.281761D+01 -0.359807D+01 -0.175930D+00
      2  -0.312139D+01 -0.314822D+00 -0.248561D+00 -0.175930D+00  0.815947D+01
      3  -0.281761D+01 -0.248561D+00 -0.114536D+01 -0.133743D+00 -0.795211D+00
                51            52            53            54            55 
      1  -0.133743D+00 -0.516860D+01 -0.456690D+00 -0.231313D+00  0.146071D+01
      2  -0.795211D+00 -0.456690D+00 -0.631542D+00 -0.200544D+01 -0.257788D+00
      3  -0.250443D+01 -0.231313D+00 -0.200544D+01  0.371607D+01  0.319898D+01
                56            57            58            59            60 
      1  -0.257788D+00  0.319898D+01 -0.462027D+00 -0.185571D+01 -0.320545D+01
      2  -0.169509D+01 -0.335755D+01 -0.185571D+01 -0.151447D+01 -0.175512D+01
      3  -0.335755D+01  0.575351D+00 -0.320545D+01 -0.175512D+01  0.246722D+01
                61            62            63            64            65 
      1   0.278466D+01 -0.250701D+01  0.484595D+00 -0.286902D+01  0.170955D+01
      2  -0.250701D+01 -0.130557D+01  0.198491D+01  0.170955D+01 -0.126735D+01
      3   0.484595D+00  0.198491D+01 -0.650835D+00  0.170212D+01 -0.104292D+01
                66            67            68            69            70 
      1   0.170212D+01  0.177895D+01 -0.158756D+01 -0.117965D+01  0.292405D+01
      2  -0.104292D+01 -0.158756D+01  0.230787D+01  0.187161D+01 -0.172237D+01
      3  -0.186096D+01 -0.117965D+01  0.187161D+01  0.167380D+01 -0.295432D+01
                71            72            73            74            75 
      1  -0.172237D+01 -0.295432D+01  0.153757D+01 -0.380439D+01 -0.268831D+01
      2   0.261574D+01  0.231524D+01 -0.380439D+01 -0.176158D+01  0.629947D+00
      3   0.231524D+01  0.408203D+01 -0.268831D+01  0.629947D+00  0.232672D+01
                76            77            78            79            80 
      1  -0.512438D+01 -0.495791D+00  0.541730D+00 -0.354535D+01  0.235134D+00
      2  -0.495791D+00  0.613394D+01 -0.202004D+01  0.235134D+00 -0.221713D+01
      3   0.541730D+00 -0.202004D+01 -0.511015D+00  0.296009D+01 -0.669558D-01
                81            82            83            84            85 
      1   0.296009D+01  0.703481D+00 -0.616581D+00  0.103596D+01 -0.914528D+00
      2  -0.669558D-01 -0.616581D+00 -0.158859D+00 -0.231646D-01 -0.226443D+00
      3   0.471510D+01  0.103596D+01 -0.231646D-01  0.684557D+00  0.118111D+00
                86            87            88            89            90 
      1  -0.226443D+00  0.118111D+00  0.197625D+01  0.268315D+00  0.407845D+00
      2  -0.357148D+00  0.112351D+01  0.268315D+00  0.121813D+01 -0.121593D+01
      3   0.112351D+01 -0.109179D+01  0.407845D+00 -0.121593D+01  0.766562D+01
                91            92            93            94            95 
      1   0.561454D+01  0.290127D+01 -0.238378D+01  0.242893D+01  0.218807D+01
      2   0.290127D+01  0.277607D+01 -0.185609D+01  0.218807D+01  0.352515D+01
      3  -0.238378D+01 -0.185609D+01  0.217031D+01 -0.159010D+01 -0.159087D+01
                96            97            98            99           100 
      1  -0.159010D+01 -0.195372D+01 -0.160432D+01  0.211441D+01 -0.160263D+01
      2  -0.159087D+01 -0.160432D+01 -0.144750D+01  0.153119D+01 -0.448349D+01
      3   0.125674D+01  0.211441D+01  0.153119D+01 -0.246009D+01 -0.298913D+01
               101           102           103           104           105 
      1  -0.448349D+01 -0.298913D+01 -0.493880D+01 -0.175443D+01  0.116155D+01
      2  -0.115931D+01  0.909938D+00 -0.175443D+01  0.127470D+01 -0.389774D+01
      3   0.909938D+00  0.541983D+00  0.116155D+01 -0.389774D+01  0.277266D+01
               106           107           108           109           110 
      1  -0.271598D+01  0.143371D+01  0.504744D+00 -0.206159D+01 -0.444354D+01
      2   0.143371D+01 -0.320164D+01  0.256768D+01 -0.444354D+01 -0.881313D+00
      3   0.504744D+00  0.256768D+01  0.156945D+01 -0.208105D+01  0.119786D+01
               111           112           113           114           115 
      1  -0.208105D+01 -0.531466D+01 -0.236475D+01  0.149791D+01 -0.225665D+01
      2   0.119786D+01 -0.236475D+01  0.305259D+01 -0.259267D+01  0.137497D+01
      3   0.331970D+00  0.149791D+01 -0.259267D+01  0.271386D+01 -0.410747D+00
               116           117           118           119           120 
      1   0.137497D+01 -0.410747D+00  0.817483D-01 -0.108142D+01  0.493577D+00
      2  -0.298006D+01  0.320508D+01 -0.108142D+01  0.433675D+00 -0.768730D-01
      3   0.320508D+01  0.416554D+01  0.493577D+00 -0.768730D-01  0.898636D-01
               121           122           123           124           125 
      1  -0.161585D+01 -0.305113D+00  0.115918D+00  0.802514D+00  0.101855D+00
      2  -0.305113D+00 -0.103846D+02  0.113969D+00  0.101855D+00  0.307798D+00
      3   0.115918D+00  0.113969D+00 -0.882162D+00 -0.988951D-01 -0.107826D+01
               126           127           128           129           130 
      1  -0.988951D-01  0.190325D+01 -0.945918D+00 -0.208546D+01 -0.106519D+01
      2  -0.107826D+01 -0.945918D+00  0.127075D+01  0.125348D+01  0.104432D+01
      3  -0.111024D+00 -0.208546D+01  0.125348D+01  0.270332D+01  0.115751D+01
               131           132           133           134           135 
      1   0.104432D+01  0.115751D+01 -0.191392D+01  0.948873D+00  0.193241D+01
      2  -0.175062D+01 -0.165655D+01  0.948873D+00 -0.153449D+01 -0.219951D+01
      3  -0.165655D+01 -0.276738D+01  0.193241D+01 -0.219951D+01 -0.576422D+01
               136           137           138           139           140 
      1  -0.479465D+01  0.357509D+00 -0.304742D+01  0.864346D+00 -0.663801D+00
      2   0.357509D+00 -0.840222D+00  0.644188D+00 -0.663801D+00  0.700355D+00
      3  -0.304742D+01  0.644188D+00 -0.370233D+01  0.969044D+00 -0.692986D+00
               141           142           143           144           145 
      1   0.969044D+00 -0.225473D+01  0.495487D+00 -0.225775D+01 -0.374633D+01
      2  -0.692986D+00  0.495487D+00 -0.510743D+00  0.123897D+00  0.165572D+01
      3   0.843288D+00 -0.225775D+01  0.123897D+00 -0.392680D+01  0.108101D+01
               146           147           148           149           150 
      1   0.165572D+01  0.108101D+01  0.196994D+01 -0.803363D+00 -0.735342D+00
      2  -0.120043D+01 -0.101570D+01 -0.803363D+00  0.140819D+01  0.164869D+01
      3  -0.101570D+01 -0.251553D+01 -0.735342D+00  0.164869D+01  0.130025D+01
               151           152           153           154           155 
      1   0.125261D+01 -0.836432D+00 -0.126953D+01  0.626133D+01  0.285039D+01
      2  -0.836432D+00  0.144148D+01  0.738278D+00  0.285039D+01  0.225717D+01
      3  -0.126953D+01  0.738278D+00  0.221434D+01  0.254027D+01  0.101548D+01
               156           157           158           159           160 
      1   0.254027D+01  0.349773D+01  0.238672D+01  0.123612D+01  0.832945D+00
      2   0.101548D+01  0.238672D+01  0.244089D+01  0.155351D+01  0.307968D+00
      3   0.229949D+01  0.123612D+01  0.155351D+01  0.123750D+01  0.113761D+01
               161           162           163           164           165 
      1   0.307968D+00  0.113761D+01  0.975920D+00 -0.363989D+00  0.127468D+01
      2   0.608929D+00  0.499708D+00 -0.363989D+00  0.586773D+00 -0.413249D+00
      3   0.499708D+00  0.801731D+00  0.127468D+01 -0.413249D+00  0.754384D+00
               166           167           168           169           170 
      1  -0.117357D+01  0.124846D+01 -0.132671D+01  0.117839D+01 -0.702439D+00
      2   0.124846D+01 -0.398206D+01  0.312944D+01 -0.702439D+00  0.210318D+01
      3  -0.132671D+01  0.312944D+01 -0.448598D+01  0.109953D+01 -0.250838D+01
               171           172           173           174           175 
      1   0.109953D+01  0.473220D+00  0.171275D+00 -0.588577D+00 -0.709141D-01
      2  -0.250838D+01  0.171275D+00  0.582451D-01  0.742928D-01  0.728924D+00
      3   0.438168D+01 -0.588577D+00  0.742928D-01  0.388388D+00  0.252390D+00
               176           177           178           179           180 
      1   0.728924D+00  0.252390D+00 -0.197268D+01  0.768157D+00  0.141120D+01
      2  -0.154060D+01 -0.107543D+01  0.768157D+00 -0.156317D+01 -0.218580D+01
      3  -0.107543D+01 -0.181474D+01  0.141120D+01 -0.218580D+01 -0.621716D+01
               181           182           183           184           185 
      1   0.145470D+01 -0.841302D+00  0.761365D+00 -0.210212D+01  0.288770D+01
      2  -0.841302D+00  0.885410D+00 -0.469866D+00  0.288770D+01 -0.632424D+01
      3   0.761365D+00 -0.469866D+00  0.245159D+00 -0.932867D+00  0.217273D+01
               186           187           188           189           190 
      1  -0.932867D+00  0.213496D+01 -0.155707D+01  0.102585D+01  0.874040D+01
      2   0.217273D+01 -0.155707D+01  0.309569D+01 -0.203689D+01  0.195939D+01
      3  -0.196758D+01  0.102585D+01 -0.203689D+01  0.167663D+01  0.290835D+00
               191           192           193           194           195 
      1   0.195939D+01  0.290835D+00  0.502817D+01  0.194778D+01 -0.938337D-01
      2   0.155613D+01  0.971350D-02  0.194778D+01  0.147643D+01  0.349916D+00
      3   0.971350D-02  0.873048D+00 -0.938337D-01  0.349916D+00  0.569476D+00
               196           197           198           199           200 
      1   0.921274D+00 -0.962637D-01  0.108894D+01 -0.443371D+01  0.100114D+01
      2  -0.962637D-01  0.507201D+00  0.442747D-01  0.100114D+01 -0.121343D+01
      3   0.108894D+01  0.442747D-01 -0.836128D-01 -0.209850D+01  0.383587D+00
               201           202           203           204           205 
      1  -0.209850D+01  0.602494D+00 -0.804893D+00  0.114220D+00 -0.348204D+01
      2   0.383587D+00 -0.804893D+00  0.530726D-01 -0.462229D+00  0.310915D+00
      3  -0.174492D+01  0.114220D+00 -0.462229D+00  0.362891D+00 -0.211986D+01
               206           207           208           209           210 
      1   0.310915D+00 -0.211986D+01 -0.124776D+01  0.128652D+01 -0.690851D+00
      2  -0.135295D+01  0.875646D+00  0.128652D+01 -0.171460D+01  0.101788D+01
      3   0.875646D+00 -0.254021D+01 -0.690851D+00  0.101788D+01 -0.431292D+00
               211           212           213           214           215 
      1   0.101471D+01 -0.128994D+01  0.729824D+00 -0.114742D+01  0.124851D+01
      2  -0.128994D+01  0.742538D+01 -0.299183D+01  0.124851D+01 -0.472436D+01
      3   0.729824D+00 -0.299183D+01  0.216686D+01 -0.487769D+00  0.332768D+01
               216           217           218           219           220 
      1  -0.487769D+00  0.168605D+01  0.928156D+00  0.114004D+01  0.827854D+00
      2   0.332768D+01  0.928156D+00  0.186341D+01  0.120016D+01  0.100284D+01
      3  -0.295303D+01  0.114004D+01  0.120016D+01  0.120080D+01  0.866681D+00
               221           222           223           224           225 
      1   0.100284D+01  0.866681D+00  0.155764D+01  0.114615D+01  0.115184D+01
      2   0.428219D+01  0.170816D+01  0.114615D+01  0.302100D+01  0.271995D+01
      3   0.170816D+01  0.188694D+01  0.115184D+01  0.271995D+01  0.325980D+01
               226           227           228           229           230 
      1  -0.133517D+01  0.201307D+00 -0.983242D+00  0.814415D+00 -0.224552D+00
      2   0.201307D+00 -0.325796D-01 -0.230314D+00 -0.224552D+00 -0.594549D+00
      3  -0.983242D+00 -0.230314D+00 -0.129575D+01 -0.107547D+00 -0.583324D+00
               231           232           233           234           235 
      1  -0.107547D+00 -0.285073D+01 -0.935617D+00 -0.222738D+01 -0.875745D+01
      2  -0.583324D+00 -0.935617D+00 -0.143168D+01 -0.636599D+00  0.644730D+00
      3   0.594910D-01 -0.222738D+01 -0.636599D+00 -0.616005D+01  0.270993D+01
               236           237           238           239           240 
      1   0.644730D+00  0.270993D+01  0.321600D+01 -0.938926D+00 -0.800681D+00
      2  -0.103797D+01 -0.282416D+00 -0.938926D+00  0.359315D+00  0.696750D+00
      3  -0.282416D+00 -0.185706D+01 -0.800681D+00  0.696750D+00  0.786227D+00
               241           242           243           244           245 
      1   0.408247D+01 -0.761764D-01 -0.242760D+01 -0.691426D-01 -0.481955D+00
      2  -0.761764D-01  0.110547D+01  0.224269D+00 -0.481955D+00  0.554367D+00
      3  -0.242760D+01  0.224269D+00  0.145889D+01  0.418185D+00 -0.730453D-01
               246           247           248           249           250 
      1   0.418185D+00 -0.169953D+01 -0.189739D+01  0.265744D+00  0.108129D+01
      2  -0.730453D-01 -0.189739D+01 -0.928097D+01  0.160742D+01  0.425401D+00
      3  -0.469093D-01  0.265744D+00  0.160742D+01 -0.133137D+01 -0.614027D+00
               251           252 
      1   0.425401D+00 -0.614027D+00
      2   0.202878D+01 -0.130692D+01
      3  -0.130692D+01  0.483546D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.461199D+01 -0.328745D+01 -0.328159D+01 -0.354341D+01  0.631366D+01
      2  -0.328417D+01 -0.205898D+01 -0.596273D+01 -0.245982D+01  0.292679D+01
      3  -0.758463D+01 -0.952798D+01  0.589277D+01 -0.294403D+01  0.660974D+01
                 6             7             8             9            10 
      1   0.564577D+00 -0.417586D+01  0.549246D+01 -0.511324D+00  0.421366D+01
      2   0.370773D+01 -0.138413D+02  0.454383D+01 -0.290567D+00 -0.339213D+01
      3  -0.160441D+00  0.723761D+01 -0.480816D+00  0.699835D+00  0.769209D+01
                11            12            13            14            15 
      1   0.227657D+01 -0.142206D+01  0.185126D+01 -0.377589D+01 -0.984367D+00
      2  -0.123355D+01  0.458390D+01 -0.150097D+01 -0.243345D+01 -0.161974D+01
      3  -0.437238D+01 -0.230898D+01  0.315315D+01 -0.104661D+02  0.138910D+01
                16            17            18            19            20 
      1  -0.425355D+00  0.619875D+01 -0.435490D+01  0.196693D+01  0.972129D+01
      2  -0.130191D+00 -0.224930D+01  0.133993D+02 -0.202032D+01  0.126455D+01
      3  -0.244472D+01  0.278057D+01  0.192037D+01  0.308537D+01  0.417495D+01
                21            22            23            24            25 
      1   0.269086D+01  0.940015D+01 -0.292955D+01  0.501596D+01  0.425502D+01
      2   0.214548D+01  0.143814D+01  0.477535D-01 -0.551340D+00 -0.229066D+01
      3  -0.242810D+01  0.105332D+02  0.105012D+00 -0.774004D+01 -0.292484D+01
                26            27            28            29            30 
      1   0.127995D+02  0.352561D+01  0.758260D+00 -0.718727D+01 -0.480986D+01
      2  -0.149736D+01  0.137743D+01 -0.428859D+00  0.373377D+01  0.189650D+01
      3  -0.846540D+01 -0.261400D+01  0.169376D+01 -0.576907D+01 -0.186092D+01
                31            32            33            34            35 
      1  -0.681588D+01 -0.271981D+01 -0.741128D+01 -0.367239D+01 -0.528921D+00
      2   0.334609D+01  0.285580D+00  0.781990D+01 -0.489675D+01  0.962835D+01
      3   0.105252D+01 -0.393379D+01  0.580183D+01 -0.410361D+01  0.713462D+01
                36            37            38            39            40 
      1  -0.257699D+01  0.423964D+01  0.353036D+00 -0.469730D-01  0.178823D+01
      2  -0.163253D+01  0.474388D+01 -0.399392D+01  0.397584D+01 -0.580578D+01
      3  -0.348488D+01 -0.107274D+02 -0.962819D+01  0.132103D+01 -0.207795D+01
                41            42            43            44            45 
      1   0.560394D+00 -0.431848D+01 -0.911111D+00  0.480083D+01 -0.335851D+01
      2   0.612389D+01 -0.592637D+01 -0.663241D+01 -0.606006D+01 -0.579990D+01
      3   0.353647D+01 -0.483252D+01  0.127320D+01 -0.761962D+01  0.614683D+01
                46            47            48            49            50 
      1  -0.554807D+01 -0.611587D+00 -0.958198D+00  0.281943D+00  0.169763D+00
      2  -0.179649D+01 -0.102599D+01  0.115593D+01  0.643256D-01  0.392905D+00
      3   0.429609D+01  0.195032D+01  0.314512D+01  0.102785D+02  0.352054D+01
                51            52            53            54            55 
      1  -0.745385D+01 -0.269550D+01 -0.163991D+01  0.872793D+01  0.257506D+01
      2   0.209360D+01 -0.578850D+01 -0.149851D+00 -0.226071D+01  0.451833D+01
      3   0.381578D+00  0.599090D+01  0.171662D+00 -0.592978D+00 -0.475423D+00
                56            57            58            59            60 
      1   0.548834D+01  0.932052D+01  0.247100D+01  0.283934D+01  0.483868D+01
      2  -0.230025D+01  0.123190D+02 -0.213459D+01 -0.670381D+01 -0.976586D+01
      3  -0.171882D+01 -0.214013D+01  0.282500D+01  0.115592D+01  0.150389D+01
                61            62            63            64            65 
      1   0.829083D+01  0.795804D+01 -0.701977D+01 -0.169568D+01  0.339017D+00
      2   0.491857D+01 -0.716165D+01  0.505860D+00 -0.183569D+01  0.155028D+01
      3  -0.127908D+01  0.126202D+01  0.146395D+00 -0.112491D+01 -0.171405D+01
                66            67            68            69            70 
      1   0.286905D+01  0.133074D+01 -0.109230D+01 -0.290482D+01  0.360900D+01
      2   0.460039D+01  0.113889D+01 -0.337982D+01 -0.370028D+01  0.269180D+01
      3   0.220143D+00  0.168574D+01  0.257292D+01  0.146825D+01  0.178842D+01
                71            72            73            74            75 
      1   0.224666D+00 -0.583837D+01 -0.555564D+01 -0.474401D+00  0.351381D+01
      2  -0.389262D+01 -0.800915D+01  0.966725D+01 -0.913849D-01 -0.496943D+01
      3   0.418665D+01  0.154273D+00 -0.156611D+02 -0.151264D+01  0.587093D+01
                76            77            78            79            80 
      1  -0.666648D-01 -0.266281D+01 -0.238732D+01  0.506661D+01  0.162105D+01
      2  -0.266335D+00  0.664673D+01  0.117499D+01 -0.119261D+02 -0.112159D+01
      3   0.912934D+01  0.216984D+02 -0.776901D+01  0.581690D+01 -0.720719D+01
                81            82            83            84            85 
      1   0.710905D+01  0.231602D+00 -0.311187D+00  0.632597D+00 -0.268409D+00
      2  -0.162093D+02 -0.350389D+01  0.277370D+00 -0.174110D+01  0.651936D+00
      3  -0.430400D+01 -0.197395D+01 -0.211338D+00 -0.421998D+00  0.228192D+01
                86            87            88            89            90 
      1   0.389487D+00 -0.594095D+00  0.845244D+00  0.289468D+01  0.436424D+01
      2  -0.152464D+01  0.139900D+01 -0.648435D+01  0.136163D+01 -0.136708D+02
      3   0.452819D+00  0.197604D+01 -0.130401D+01  0.203012D+01 -0.140540D+01
                91            92            93            94            95 
      1  -0.317777D+00 -0.161212D+01 -0.190427D+01 -0.488623D+00 -0.263088D+01
      2   0.419323D+01  0.883597D+00  0.233661D+01  0.172479D+01  0.670893D+00
      3   0.545146D+01 -0.222388D+01 -0.837709D+00  0.296361D+01 -0.175511D+01
                96            97            98            99           100 
      1  -0.161078D+01 -0.962319D+00  0.164221D+01  0.244306D+01 -0.924452D+01
      2   0.895604D+00 -0.159034D+01 -0.340423D+00 -0.145675D+01 -0.210863D+01
      3  -0.317914D+00 -0.177550D+01  0.238066D+00  0.112961D+01  0.817458D+01
               101           102           103           104           105 
      1  -0.199300D+01  0.182070D+01 -0.486611D+01  0.265861D+01 -0.125284D+02
      2   0.112740D+02  0.112928D+02  0.130242D+02 -0.404043D+01  0.284163D+01
      3  -0.547174D+00 -0.261846D+01  0.452655D+01 -0.250080D+01  0.768461D+01
               106           107           108           109           110 
      1   0.356610D+01 -0.579890D+01  0.581861D+01 -0.828513D+00  0.157953D+01
      2   0.542330D+01  0.166003D+01  0.134960D+01 -0.649293D+01  0.238668D+01
      3  -0.339679D+01  0.623140D+01 -0.461150D+01  0.171863D+02  0.747943D+01
               111           112           113           114           115 
      1  -0.286053D+00  0.237999D+01 -0.408869D+01  0.264013D+01 -0.215363D+01
      2   0.167200D+01  0.216392D+01 -0.830068D+01  0.988147D+01 -0.587327D+01
      3  -0.160220D+01  0.160632D+02 -0.815094D+01  0.611228D+01 -0.156599D+01
               116           117           118           119           120 
      1   0.725529D+01  0.524796D+01  0.114042D+01 -0.696235D-01 -0.679703D-01
      2   0.116432D+02  0.147981D+02 -0.407161D+00 -0.169916D+00  0.925083D+00
      3   0.658063D+01 -0.982886D+01 -0.192047D+00  0.116116D-01 -0.572160D+00
               121           122           123           124           125 
      1   0.319601D+00  0.242442D+01 -0.535857D+01  0.160442D+00 -0.449257D+00
      2  -0.936355D-01 -0.608410D+00  0.304098D+00 -0.133759D+01  0.178691D+00
      3   0.698618D+01 -0.132313D+01 -0.113609D+00 -0.139359D+01 -0.231479D+00
               126           127           128           129           130 
      1  -0.543568D-01  0.164556D+01 -0.401992D+01 -0.187496D+01 -0.250571D+01
      2   0.183413D-01  0.605059D+01 -0.239198D+01 -0.331876D+01 -0.353324D+01
      3  -0.492879D-01 -0.121256D+01 -0.622059D+00  0.884882D+00  0.223314D+01
               131           132           133           134           135 
      1   0.406268D+01  0.868592D+00 -0.201124D+01  0.423473D+01  0.243104D+01
      2   0.243105D+01  0.232107D+01 -0.689616D+01  0.239312D+01  0.226785D+01
      3  -0.137867D+00 -0.170520D+00  0.151825D+01  0.530679D+00 -0.476486D+00
               136           137           138           139           140 
      1  -0.166916D+01  0.421053D+01 -0.248026D+01  0.192902D+01 -0.245581D+01
      2  -0.144562D+02  0.957466D+00 -0.413099D+01  0.273541D+01 -0.152143D+01
      3   0.117005D+01 -0.266435D+01  0.113068D+01  0.517640D+00  0.604794D+00
               141           142           143           144           145 
      1   0.920479D-01 -0.167483D+01  0.270699D+01 -0.918444D+00  0.399079D+01
      2   0.191127D+01 -0.677001D+01  0.950617D+00 -0.383673D+01  0.138651D+02
      3  -0.356670D+00  0.337064D+00 -0.164169D+01  0.861690D+00 -0.522576D+01
               146           147           148           149           150 
      1  -0.399625D+01 -0.648716D+00 -0.265282D+01  0.366460D+01  0.170977D+01
      2  -0.576096D+01 -0.446764D+01 -0.693898D+01  0.460986D+01  0.296468D+01
      3   0.144622D+01  0.169204D+01  0.382827D+01 -0.213668D+01 -0.249806D+01
               151           152           153           154           155 
      1  -0.169494D+01  0.414450D+01  0.404973D+00  0.577760D+01  0.539965D+01
      2  -0.687491D+01  0.330351D+01  0.494196D+01 -0.851794D+01 -0.390971D+01
      3   0.227052D+01 -0.171259D+01 -0.144940D+01 -0.233308D+01 -0.546474D+01
               156           157           158           159           160 
      1   0.563816D+00  0.449835D+01  0.513513D+01  0.116113D+01  0.620471D+00
      2   0.180780D+01 -0.579528D+01 -0.184770D+01  0.836362D+00 -0.149109D+01
      3  -0.147720D+01 -0.131879D+01 -0.472389D+01 -0.224777D+01 -0.132744D+00
               161           162           163           164           165 
      1   0.215855D+01  0.837793D+00 -0.673959D+00  0.167033D+01 -0.799012D+00
      2  -0.337118D+00 -0.917012D+00  0.575525D+00 -0.141468D+00 -0.448377D-03
      3  -0.111866D+01 -0.436449D+00  0.536185D+00 -0.177072D+01  0.897022D+00
               166           167           168           169           170 
      1   0.265318D+01 -0.103063D+02  0.452441D+01 -0.186833D+01  0.719316D+01
      2   0.157196D+01  0.314901D+01 -0.593926D+01 -0.254950D+01 -0.264974D+01
      3   0.689783D-02  0.697033D+01 -0.520207D+01  0.495184D+00 -0.407227D+01
               171           172           173           174           175 
      1  -0.537293D+01 -0.984804D+00 -0.108511D-01  0.102598D+00 -0.194426D+00
      2   0.535385D+01 -0.138005D+01  0.526431D+00  0.103893D+01  0.657381D-01
      3   0.436072D+01 -0.578279D+00 -0.936910D+00  0.440194D+00 -0.502003D+00
               176           177           178           179           180 
      1   0.126264D+00 -0.292199D+01  0.499341D+00  0.473339D+00 -0.783307D+01
      2  -0.251502D+01 -0.563351D+01 -0.842445D+00 -0.573777D+01 -0.193184D+02
      3   0.326225D+01  0.276194D+01  0.115455D+01  0.422466D+01  0.537145D+01
               181           182           183           184           185 
      1   0.116531D+01 -0.850869D+00  0.779155D+00 -0.165543D+01  0.344140D+01
      2   0.240093D+01 -0.170563D+01  0.198942D+01 -0.229867D+01  0.715411D+01
      3   0.109748D+01 -0.329852D+01  0.578905D+00 -0.343052D+01  0.159229D+02
               186           187           188           189           190 
      1  -0.569562D+01  0.111389D+01 -0.181503D+01  0.368849D+01 -0.340248D+00
      2  -0.705179D+01  0.151859D+01 -0.579210D+01  0.526210D+01  0.282982D+01
      3  -0.545370D+01  0.684574D+00 -0.789957D+01  0.493892D+01 -0.147678D+02
               191           192           193           194           195 
      1  -0.398917D+00  0.287975D+00 -0.502590D+00 -0.140477D+00 -0.935223D+00
      2   0.933728D+00  0.552934D+01  0.974156D+00  0.169579D+01  0.290904D+01
      3  -0.977958D+01 -0.459316D+00 -0.872868D+01 -0.785088D+01 -0.113301D+01
               196           197           198           199           200 
      1   0.850564D+00  0.459156D+00 -0.230022D+00  0.346333D+01  0.340457D+00
      2   0.194556D+01  0.155406D-01  0.606122D-01  0.477238D+01 -0.934932D+00
      3  -0.334913D+00 -0.181130D+01 -0.995254D+00 -0.444440D+01 -0.337866D+01
               201           202           203           204           205 
      1   0.289966D+01 -0.105310D+00  0.497752D+00 -0.154665D+01  0.272434D+01
      2   0.629590D+01 -0.222250D+00  0.123502D+01 -0.828101D+00  0.352851D+01
      3  -0.235577D+01  0.389650D+00 -0.184445D+01 -0.693369D+00 -0.473197D+01
               206           207           208           209           210 
      1   0.424346D-01  0.462836D+01  0.107344D+01 -0.237476D+01  0.139332D+01
      2  -0.172481D+01  0.752256D+01 -0.734873D+00  0.284011D+00  0.105926D+01
      3  -0.369519D+01 -0.133275D+01 -0.329583D+01  0.940505D+00 -0.131391D+01
               211           212           213           214           215 
      1  -0.146692D+01  0.439367D+01 -0.699080D+01  0.203017D+00 -0.461600D+01
      2   0.100282D+01  0.161239D+00 -0.856553D+00 -0.187678D+01 -0.141676D+00
      3   0.438157D+01 -0.664442D+00  0.883243D+00 -0.402607D+01  0.121186D+01
               216           217           218           219           220 
      1   0.727452D+01 -0.329776D+01 -0.296131D+01 -0.424509D+01 -0.251230D+01
      2   0.728766D+00  0.684593D-01 -0.351093D+00  0.777235D+00 -0.977140D+00
      3   0.100765D+00  0.538671D+01  0.599410D+00  0.327877D+01  0.354276D+01
               221           222           223           224           225 
      1  -0.404820D+01 -0.658984D+01 -0.362994D+01 -0.548853D+01 -0.108135D+02
      2  -0.527106D+00  0.211278D+00 -0.198218D+01 -0.315491D+00 -0.764038D+00
      3   0.240214D+01  0.273155D+01  0.600716D+01  0.303322D+01  0.319595D+01
               226           227           228           229           230 
      1  -0.166389D+01  0.229361D-01 -0.198092D+01 -0.333183D+00 -0.863070D+00
      2   0.330847D+01  0.900918D+00  0.460349D+01  0.791864D+00  0.175288D+01
      3   0.212833D+01 -0.109371D+01  0.673278D+00 -0.340501D+00 -0.100138D+01
               231           232           233           234           235 
      1  -0.763308D+00 -0.259344D+01  0.193968D+01 -0.975898D+01  0.370865D+01
      2  -0.542510D+00  0.325602D+01  0.126209D+01  0.211687D+02 -0.486539D+01
      3  -0.134532D+01  0.126789D+01 -0.401962D+01  0.141726D+01  0.139024D+02
               236           237           238           239           240 
      1  -0.141812D+01 -0.229705D+01 -0.110833D+01  0.134321D+01  0.532456D+00
      2   0.870852D+00  0.761704D+01  0.105371D+01 -0.185519D+01 -0.296998D+01
      3  -0.692963D+01 -0.480576D+01 -0.546161D+01  0.313147D+01  0.314114D+01
               241           242           243           244           245 
      1  -0.273063D+01  0.206111D+01  0.155347D+01  0.481770D+00  0.175943D+00
      2   0.441746D+01 -0.885472D+00 -0.407068D+01 -0.146296D+01  0.210065D+00
      3  -0.550572D+01  0.475170D+01  0.378554D+01 -0.216517D+01  0.979763D+00
               246           247           248           249           250 
      1   0.228911D+00 -0.123682D+00 -0.290555D+00 -0.458005D+01 -0.643770D+00
      2   0.596912D+00  0.278685D+00 -0.402582D+01  0.411358D+01  0.245545D+00
      3  -0.807982D+00  0.554377D+00 -0.254964D+02  0.450459D+01 -0.922677D+00
               251           252 
      1  -0.382368D+00  0.570939D+00
      2   0.315672D+01 -0.824459D+00
      3   0.560754D+01 -0.264836D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281848D+01  0.824504D+01 -0.108572D+02  0.722456D+01 -0.180329D+01
      2   0.159537D+01 -0.604887D+01  0.618680D+01 -0.524764D+01  0.507975D+01
      3   0.122311D+01 -0.219617D+01  0.467037D+01 -0.197692D+01 -0.327647D+01
      4   0.124516D+02 -0.489652D+01  0.410851D+00 -0.692820D+01 -0.988729D+01
      5  -0.320515D+01 -0.451482D+01 -0.135168D+02 -0.655072D+01  0.487805D+01
      6   0.552118D+00  0.637543D+01  0.808959D+01  0.684153D+01 -0.533349D+01
                 6             7             8             9            10 
      1  -0.286445D+00 -0.141114D+02 -0.123425D+01 -0.120249D+02 -0.187557D+01
      2  -0.848478D+00  0.951390D+01  0.142015D+01  0.612607D+01 -0.131108D+01
      3   0.113492D+01  0.459750D+01 -0.185902D+00  0.589882D+01  0.318666D+01
      4   0.753139D+01 -0.718190D+00  0.108267D+02  0.175671D+02 -0.174803D+02
      5   0.758326D+01 -0.199809D+02  0.119328D+02  0.307145D+01 -0.390835D+01
      6  -0.578796D+01  0.127752D+02 -0.721415D+01 -0.621510D+01 -0.744061D+00
                11            12            13            14            15 
      1  -0.107097D+02 -0.269536D+01 -0.143584D+02 -0.667679D+01 -0.185649D+01
      2   0.186904D+01  0.166734D+01  0.570708D+01  0.650883D+01  0.285440D+00
      3   0.884064D+01  0.102802D+01  0.865129D+01  0.167959D+00  0.157105D+01
      4  -0.104408D+02 -0.253743D+01 -0.104551D+02  0.119036D+02 -0.458910D+00
      5   0.179789D+01  0.511731D+01  0.151380D+01 -0.101439D+01 -0.293425D+01
      6  -0.175523D+01  0.919965D+00 -0.774868D+00 -0.859742D+00 -0.155088D+01
                16            17            18            19            20 
      1  -0.329803D+01 -0.426943D+01  0.186450D+02 -0.503800D+01 -0.444394D+01
      2   0.139593D+01 -0.177442D+01  0.249691D+01  0.536749D+01  0.285704D+00
      3   0.190210D+01  0.604385D+01 -0.211419D+02 -0.329486D+00  0.415824D+01
      4  -0.495494D+01 -0.481833D+01 -0.118396D+01  0.373723D+00 -0.220840D+01
      5   0.106590D+02 -0.239701D+01  0.131176D+02 -0.253460D+01  0.725417D+00
      6   0.166867D+01  0.430064D+00  0.111538D+02 -0.293028D+01 -0.140317D+02
                21            22            23            24            25 
      1   0.106442D+02 -0.618386D+01  0.156075D+02 -0.491966D+01  0.141988D+02
      2  -0.154603D+02  0.307069D+01 -0.182370D+02  0.648323D+01 -0.175588D+02
      3   0.481603D+01  0.311317D+01  0.262958D+01 -0.156357D+01  0.336000D+01
      4  -0.192791D+01  0.143189D+01  0.366099D+01 -0.122234D+02 -0.337902D+01
      5  -0.138681D+01  0.104457D+01 -0.610804D+01  0.148992D+00  0.225855D+00
      6   0.611535D+00 -0.127819D+02  0.111083D+02 -0.155130D+02 -0.265712D+01
                26            27            28            29            30 
      1  -0.749617D+01  0.142590D+02 -0.370481D+01 -0.373545D+00 -0.283840D+01
      2   0.955599D+01 -0.191557D+02  0.293193D+01  0.910155D+01  0.842880D+01
      3  -0.205983D+01  0.489673D+01  0.772872D+00 -0.872800D+01 -0.559040D+01
      4  -0.144800D+02 -0.318162D+01 -0.112464D+02 -0.118068D+02  0.117156D+02
      5  -0.485339D+00 -0.348690D+01  0.895505D+01  0.100815D+02 -0.967484D+01
      6  -0.234257D+02  0.816065D+00  0.724232D+01  0.108820D+02 -0.118335D+02
                31            32            33            34            35 
      1   0.773768D+00 -0.574027D+01  0.702045D+01 -0.266593D+01  0.124314D+02
      2   0.515885D+01  0.106253D+02 -0.516231D+01  0.797127D+01 -0.615231D+01
      3  -0.593262D+01 -0.488499D+01 -0.185814D+01 -0.530534D+01 -0.627909D+01
      4  -0.115152D+02 -0.497390D+01  0.545637D+01  0.158856D+02  0.705908D+01
      5   0.767731D+01  0.180436D+01 -0.309197D+01 -0.827918D+01 -0.278287D+01
      6   0.720196D+01  0.143995D+01 -0.496804D+01 -0.860805D+01  0.348048D+00
                36            37            38            39            40 
      1  -0.565134D+01  0.339751D+01  0.132257D+02  0.124879D+02  0.156475D+02
      2   0.782687D+01 -0.903925D+01 -0.870040D+01 -0.615157D+01 -0.827629D+01
      3  -0.217553D+01  0.564175D+01 -0.452529D+01 -0.633634D+01 -0.737118D+01
      4   0.942538D-01  0.122444D+02 -0.170806D+01 -0.907157D+01  0.471154D+00
      5  -0.975718D+00  0.133043D+02 -0.359977D+01  0.590183D+01 -0.268935D+01
      6  -0.105778D+01 -0.174443D+01  0.157798D-01  0.290037D+01  0.264069D+01
                41            42            43            44            45 
      1  -0.137484D+01 -0.233487D+01  0.138483D+02 -0.501718D+01  0.609202D+01
      2  -0.333716D+00  0.578765D+01 -0.690907D+01  0.388759D+01 -0.101155D+01
      3   0.170856D+01 -0.345278D+01 -0.693920D+01  0.112958D+01 -0.508047D+01
      4  -0.415906D+01  0.839194D+01 -0.115855D+02  0.718137D+01 -0.981999D+01
      5   0.104867D+02 -0.647251D+01  0.350916D+01 -0.828475D+01 -0.531848D+01
      6   0.125981D-02  0.479403D+01 -0.156672D+01 -0.567079D+00 -0.135618D+01
                46            47            48            49            50 
      1  -0.836585D+01 -0.415941D-01 -0.244028D+01  0.973877D+00  0.212627D+02
      2   0.545234D+01  0.401990D+01  0.390205D+01  0.967275D+00 -0.328494D+02
      3   0.291351D+01 -0.397830D+01 -0.146177D+01 -0.194115D+01  0.115867D+02
      4   0.344257D+01  0.385144D+01  0.323997D+01  0.332605D+01  0.975053D+00
      5  -0.469458D+01 -0.327272D+01 -0.296917D+01 -0.404081D+01 -0.647496D+01
      6   0.664889D+00  0.708715D+00 -0.385700D+01 -0.266617D+01 -0.358242D+01
                51            52            53            54            55 
      1  -0.577049D+01 -0.842207D+00 -0.159985D+01 -0.406962D-01  0.457619D+01
      2  -0.969943D+00  0.353834D+01 -0.121922D+01  0.851808D+01  0.761372D+01
      3   0.674043D+01 -0.269613D+01  0.281907D+01 -0.847738D+01 -0.121899D+02
      4  -0.330021D+01  0.629889D+01  0.150271D+01  0.108455D+01  0.198293D+01
      5   0.932490D+00 -0.186781D+01  0.127724D+01 -0.139250D+01 -0.593970D+01
      6  -0.184817D-01 -0.444822D-01  0.432729D+01 -0.184006D+01  0.858932D+00
                56            57            58            59            60 
      1  -0.698274D+01 -0.121615D+01 -0.595512D+01 -0.534371D+01  0.656497D+01
      2  -0.810603D+01  0.955053D-01 -0.780804D+01 -0.136106D+01  0.519601D+01
      3   0.150888D+02  0.112065D+01  0.137632D+02  0.670478D+01 -0.117610D+02
      4  -0.153946D+01 -0.195676D+01 -0.842148D+00  0.164209D+01  0.324043D+01
      5   0.132198D+01 -0.132722D+02  0.278409D+01  0.692342D+01  0.100971D+02
      6   0.450571D+01  0.153081D+02  0.732791D+01  0.159369D+01  0.260278D+01
                61            62            63            64            65 
      1  -0.284643D+01  0.128842D+01 -0.308779D+01  0.989247D+01 -0.419744D+01
      2  -0.157506D+01  0.714390D+01 -0.193260D+01 -0.513144D+01  0.456524D+00
      3   0.442149D+01 -0.843232D+01  0.502038D+01 -0.476103D+01  0.374092D+01
      4  -0.611988D+01  0.153666D+00  0.398423D+01 -0.141587D+02  0.111702D+02
      5  -0.888861D+01  0.744132D+01  0.158642D+01 -0.114689D+02  0.627457D+01
      6   0.107158D+02 -0.116016D+01 -0.614557D+01  0.722895D+01 -0.604235D+01
                66            67            68            69            70 
      1  -0.370476D+01 -0.279960D+01 -0.325320D+01 -0.182514D+01 -0.590230D+01
      2   0.265918D+01 -0.884595D+00  0.750991D+01  0.270128D+01  0.475431D+01
      3   0.104559D+01  0.368420D+01 -0.425672D+01 -0.876146D+00  0.114799D+01
      4   0.817831D+01  0.129279D+02 -0.126518D+02 -0.103438D+02  0.131015D+02
      5   0.122187D+02  0.633598D+01 -0.863132D+01 -0.777126D+01  0.170678D+02
      6  -0.698139D+01 -0.692274D+01  0.103501D+02  0.100691D+02 -0.112810D+02
                71            72            73            74            75 
      1  -0.190704D+01 -0.295514D-01 -0.186441D+02  0.178707D+02  0.183527D+02
      2   0.263733D+01 -0.588376D+01  0.204913D+02 -0.565136D+01 -0.113225D+02
      3  -0.730297D+00  0.591331D+01 -0.184714D+01 -0.122194D+02 -0.703028D+01
      4  -0.144324D+02 -0.147726D+02  0.223920D+02  0.148631D+02 -0.116334D+00
      5  -0.108230D+02 -0.194034D+02  0.212153D+02 -0.468884D+01 -0.150890D+02
      6   0.129283D+02  0.169096D+02  0.396455D+01 -0.516451D+00 -0.396345D+01
                76            77            78            79            80 
      1   0.295820D+02  0.213481D+02 -0.930420D+01  0.226311D+02 -0.597363D+01
      2  -0.169706D+02 -0.293455D+02  0.110739D+02 -0.110050D+02  0.101913D+02
      3  -0.126114D+02  0.799739D+01 -0.176969D+01 -0.116261D+02 -0.421768D+01
      4   0.105926D+02 -0.248341D+02  0.906808D+01  0.331816D+01  0.101773D+02
      5  -0.599274D+01  0.105326D+02  0.372520D+01 -0.212106D+02  0.280328D+00
      6   0.238084D+00  0.121149D+02 -0.734219D+00 -0.622379D+01 -0.147540D+01
                81            82            83            84            85 
      1  -0.162663D+02 -0.135087D+01  0.221311D+01 -0.260185D+01  0.199269D+01
      2   0.115050D+02 -0.273813D+01 -0.596031D+00  0.150017D+00 -0.763792D+00
      3   0.476130D+01  0.408900D+01 -0.161708D+01  0.245183D+01 -0.122890D+01
      4  -0.299128D+01  0.161356D+01  0.282952D+01 -0.861005D+00  0.395503D+01
      5  -0.256580D+02 -0.299763D-01 -0.650102D+00  0.498393D+01 -0.734700D+00
      6  -0.125380D+02 -0.132982D+01  0.387668D+00 -0.726686D+00  0.240454D+00
                86            87            88            89            90 
      1  -0.343945D+01  0.301142D+01 -0.454885D+01  0.320480D+01 -0.195851D+02
      2   0.811908D+00 -0.575705D+00  0.937904D+00  0.116530D+01 -0.127392D+02
      3   0.262754D+01 -0.243571D+01  0.361094D+01 -0.437010D+01  0.323243D+02
      4   0.569153D+00 -0.251674D+01 -0.257132D+01 -0.404762D+01  0.190929D+01
      5  -0.227640D+01  0.250637D+01  0.456683D+01  0.326416D+01 -0.168514D+02
      6  -0.349647D+01  0.741734D+01  0.138684D+00  0.631024D+01 -0.115189D+02
                91            92            93            94            95 
      1   0.143319D+02  0.313459D+01 -0.187089D+01  0.983763D+00 -0.358320D+01
      2  -0.757991D+01  0.906534D+00  0.253085D+01  0.221438D+01  0.913465D+01
      3  -0.675196D+01 -0.404112D+01 -0.659958D+00 -0.319814D+01 -0.555144D+01
      4   0.216315D+02  0.171122D+02 -0.108214D+02  0.148516D+02  0.156219D+02
      5  -0.184050D+02 -0.109872D+02  0.144362D+02 -0.857373D+01 -0.909991D+01
      6  -0.116109D+02 -0.105826D+02  0.959110D+01 -0.917163D+01 -0.127686D+02
                96            97            98            99           100 
      1   0.177958D+01 -0.106228D+01  0.148580D+01 -0.230865D+01 -0.223401D+01
      2  -0.132573D+01  0.220612D+01 -0.776167D-01 -0.474342D+01  0.421584D+01
      3  -0.453853D+00 -0.114384D+01 -0.140819D+01  0.705207D+01 -0.198183D+01
      4  -0.833907D+01 -0.929464D+01 -0.804577D+01  0.886817D+01 -0.181640D+02
      5   0.661467D+01  0.127604D+02  0.814680D+01 -0.111863D+02 -0.139307D+02
      6   0.962697D+01  0.890126D+01  0.966267D+01 -0.108246D+02 -0.158308D+02
               101           102           103           104           105 
      1  -0.187532D+02 -0.128085D+02 -0.220280D+02  0.241908D+01 -0.740244D+01
      2   0.434597D+01  0.283220D+01  0.520236D+01  0.858433D+01 -0.655517D+01
      3   0.144072D+02  0.997634D+01  0.168257D+02 -0.110034D+02  0.139576D+02
      4  -0.786170D+01 -0.185307D+01 -0.102446D+02  0.260032D+01 -0.132919D+02
      5  -0.110891D+02 -0.743325D+01 -0.111633D+02 -0.146965D+02  0.985710D+01
      6  -0.573259D+01  0.290416D+01 -0.868109D+01  0.648624D+01 -0.182707D+02
               106           107           108           109           110 
      1  -0.107256D+02 -0.322439D+01 -0.297794D+01 -0.202189D+02 -0.286160D+02
      2   0.238219D+01 -0.663515D+01 -0.566959D+01  0.150728D+02  0.170490D+02
      3   0.834346D+01  0.985955D+01  0.864753D+01  0.514600D+01  0.115670D+02
      4   0.258053D+01 -0.929377D+01  0.102202D+02 -0.274057D+02 -0.147686D+01
      5  -0.588574D+01  0.108301D+02  0.712398D+01 -0.102695D+02  0.702284D+01
      6   0.674720D+01 -0.125267D+02  0.127976D+02  0.578184D+01 -0.289420D+01
               111           112           113           114           115 
      1  -0.953131D+01 -0.372438D+02 -0.312744D+01  0.196463D+01 -0.109331D+02
      2   0.232504D+01  0.236194D+02 -0.647644D+01  0.632546D+01  0.100732D+01
      3   0.720627D+01  0.136244D+02  0.960388D+01 -0.829009D+01  0.992580D+01
      4   0.770954D+01 -0.868081D+01  0.152589D+02 -0.146211D+02  0.992655D+01
      5   0.177131D+01  0.852049D+01 -0.133970D+02  0.141350D+02 -0.170926D+01
      6   0.215444D-01 -0.423772D+01  0.861414D+01 -0.788273D+01  0.335941D+01
               116           117           118           119           120 
      1   0.230865D+01  0.714014D+01 -0.180225D-01  0.150744D+01 -0.307302D+00
      2   0.793780D+01 -0.632528D+01  0.385738D+01 -0.214741D+01 -0.547514D+00
      3  -0.102464D+02 -0.814855D+00 -0.383936D+01  0.639976D+00  0.854817D+00
      4  -0.156236D+02  0.154744D+02 -0.140876D+00  0.898212D+01 -0.982943D+00
      5   0.164341D+02  0.201891D+02  0.508079D+00  0.356962D+00  0.247956D+01
      6  -0.791246D+01 -0.881903D+01  0.129693D+00 -0.264959D+00 -0.414179D-01
               121           122           123           124           125 
      1   0.342575D+00 -0.279535D+02 -0.414902D+00 -0.577166D+00  0.205101D+00
      2   0.122235D+01  0.511678D+02 -0.554142D+00 -0.716527D+00 -0.156352D+01
      3  -0.156493D+01 -0.232143D+02  0.969044D+00  0.129369D+01  0.135841D+01
      4   0.813294D+01  0.128292D+01  0.265420D+00 -0.168853D+01 -0.495901D+00
      5   0.234728D+00  0.121572D+01  0.169889D+00  0.199821D+01  0.524058D-01
      6   0.358759D+00  0.490831D+01  0.672109D+01  0.566539D+00  0.742143D+01
               126           127           128           129           130 
      1  -0.398763D+01 -0.114101D+01  0.205953D+01  0.625490D+01  0.225517D+01
      2   0.337993D+01 -0.660744D+01  0.286944D+01  0.784653D+01  0.161766D+01
      3   0.607699D+00  0.774846D+01 -0.492896D+01 -0.141014D+02 -0.387283D+01
      4   0.229812D+00 -0.416047D+01  0.347636D+01  0.357070D+01  0.392063D+01
      5   0.937610D+00 -0.872256D+01  0.402844D+01  0.118245D+02  0.406325D+01
      6   0.503317D+00  0.515660D+01 -0.613747D+01 -0.744100D+01 -0.555959D+01
               131           132           133           134           135 
      1  -0.583193D+01 -0.883575D+01  0.311682D+01 -0.632552D+01 -0.169284D+02
      2   0.162257D+00 -0.382590D+01  0.538303D+01 -0.390819D+01 -0.148662D+02
      3   0.566967D+01  0.126617D+02 -0.849986D+01  0.102337D+02  0.317945D+02
      4  -0.347743D+01 -0.323331D+01  0.338142D+01 -0.290527D+01 -0.416117D+01
      5  -0.483811D+01 -0.521942D+01  0.103393D+02 -0.499806D+01 -0.120721D+02
      6   0.106118D+02  0.122977D+02 -0.577175D+01  0.987394D+01  0.147255D+02
               136           137           138           139           140 
      1   0.207873D+01  0.161568D+01 -0.601203D+01  0.144992D+01 -0.154615D+01
      2  -0.106227D+02  0.135508D+01 -0.109925D+02  0.230832D+01  0.581160D+00
      3   0.854396D+01 -0.297076D+01  0.170045D+02 -0.375825D+01  0.964991D+00
      4   0.725730D+00  0.383612D+01 -0.221437D+00  0.331142D+01 -0.852217D+00
      5   0.186869D+02 -0.190939D+01  0.169773D+02 -0.364501D+01  0.246918D+01
      6  -0.235787D+01  0.417436D+01 -0.325789D+01  0.283945D+01 -0.371390D+01
               141           142           143           144           145 
      1   0.197613D+01 -0.214002D+01  0.665470D+00 -0.829693D+01 -0.700232D+01
      2   0.172311D+01 -0.740648D+01 -0.150294D+00 -0.114919D+02  0.150929D+01
      3  -0.369924D+01  0.954650D+01 -0.515176D+00  0.197888D+02  0.549304D+01
      4   0.112804D+01  0.295434D+00  0.144921D+01 -0.549163D+00  0.156984D+01
      5  -0.413232D+01  0.130663D+02 -0.208368D+01  0.133573D+02 -0.908729D+01
      6   0.534160D+01 -0.243972D+01  0.448848D+01 -0.168821D+01  0.604762D+01
               146           147           148           149           150 
      1   0.767299D+01  0.108783D+02  0.773707D+01 -0.771598D+01 -0.693833D+01
      2  -0.190406D+01  0.298929D+01 -0.254352D+01  0.183521D+01  0.149319D+00
      3  -0.576893D+01 -0.138676D+02 -0.519355D+01  0.588076D+01  0.678901D+01
      4   0.504032D+00 -0.875981D+00  0.225872D+01  0.889855D+00  0.277277D+01
      5   0.372361D+01  0.174540D+01  0.550391D+01 -0.442134D-01 -0.969243D+00
      6  -0.587863D+01 -0.590534D+01 -0.363675D+01  0.724142D+01  0.864757D+01
               151           152           153           154           155 
      1   0.720670D+01 -0.606238D+01 -0.102942D+02  0.272240D+02  0.946769D+01
      2   0.582838D+00  0.165857D+01 -0.358152D+01 -0.156754D+02 -0.302835D+01
      3  -0.778954D+01  0.440381D+01  0.138757D+02 -0.115486D+02 -0.643935D+01
      4  -0.337875D+00  0.137748D+01  0.473833D-01  0.184513D+02  0.143537D+02
      5   0.528782D+01 -0.246406D+01 -0.250521D+01  0.267964D+02  0.120195D+02
      6  -0.485169D+01  0.742094D+01  0.588644D+01  0.116429D+02  0.970599D+01
               156           157           158           159           160 
      1   0.544425D+01  0.119716D+02  0.393360D+01  0.143519D+01  0.466466D+00
      2  -0.853505D+01 -0.445490D+01  0.384413D+00 -0.295849D+01 -0.375001D+01
      3   0.309080D+01 -0.751666D+01 -0.431801D+01  0.152330D+01  0.328355D+01
      4   0.675920D+01  0.157358D+02  0.141035D+02  0.752293D+01  0.209081D+01
      5   0.175419D+02  0.145241D+02  0.109622D+02  0.880060D+01  0.966251D+01
      6   0.579116D+01  0.988162D+01  0.954363D+01  0.881840D+01  0.337276D+01
               161           162           163           164           165 
      1   0.196376D-01  0.162747D+01  0.167243D+01 -0.364171D+00  0.301996D+01
      2  -0.109562D+01 -0.373552D+01 -0.322246D+01  0.169346D+01 -0.396963D+01
      3   0.107598D+01  0.210805D+01  0.155003D+01 -0.132929D+01  0.949671D+00
      4   0.276978D+01  0.313750D+01 -0.173593D+01  0.519034D+01 -0.264441D+01
      5   0.389825D+01  0.670829D+01  0.699171D+01 -0.335703D+01  0.855790D+01
      6   0.534236D+01  0.264492D+01 -0.228141D+01  0.281861D+01 -0.232879D+01
               166           167           168           169           170 
      1  -0.503828D+00 -0.778064D+01  0.104143D+02  0.128564D+01  0.627390D+01
      2   0.336386D+01 -0.234561D-01  0.800570D+01 -0.454777D+01  0.489835D+01
      3  -0.286003D+01  0.780409D+01 -0.184200D+02  0.326213D+01 -0.111723D+02
      4   0.758297D+01 -0.130085D+02  0.993450D+01 -0.308455D+01  0.676588D+01
      5  -0.860074D+01  0.105251D+02 -0.153697D+02  0.906182D+01 -0.820458D+01
      6   0.621684D+01 -0.209627D+02  0.190845D+02 -0.379892D+01  0.138236D+02
               171           172           173           174           175 
      1  -0.113562D+02  0.350316D+01  0.102323D+01 -0.265556D+01  0.141123D+01
      2  -0.111338D+02 -0.308944D+01 -0.437318D-01  0.254137D+01 -0.177289D+01
      3   0.224900D+02 -0.413722D+00 -0.979499D+00  0.114186D+00  0.361664D+00
      4  -0.773299D+01  0.447573D+00  0.164168D+01  0.226643D+01  0.552481D+01
      5   0.145741D+02 -0.359564D+01  0.147530D+01  0.509368D+01  0.253985D+01
      6  -0.152584D+02  0.168910D+01 -0.327913D+00 -0.140662D+01 -0.149257D+01
               176           177           178           179           180 
      1  -0.179545D+01 -0.295514D+01 -0.861220D+01 -0.201256D+01 -0.619517D+01
      2   0.349508D+01  0.138051D+01  0.541049D+01  0.176241D+01 -0.513351D+01
      3  -0.169964D+01  0.157463D+01  0.320171D+01  0.250153D+00  0.113287D+02
      4  -0.801344D+01 -0.521660D+01  0.705136D+01 -0.893373D+01 -0.113583D+02
      5  -0.523122D+01 -0.958394D+01  0.120008D+02 -0.118790D+02 -0.330034D+02
      6   0.495596D+01  0.913162D+01 -0.434845D+01  0.998596D+01  0.168224D+02
               181           182           183           184           185 
      1   0.857530D+01 -0.375747D+01  0.380074D+01 -0.580069D+01 -0.307063D+01
      2  -0.169751D+01 -0.761271D+00 -0.789876D+00 -0.485256D+01  0.225283D+02
      3  -0.687779D+01  0.451874D+01 -0.301086D+01  0.106533D+02 -0.194576D+02
      4  -0.693145D+01  0.109193D+02 -0.489109D+01  0.211400D+02 -0.361147D+02
      5   0.421959D+01 -0.380820D+01  0.338699D+01 -0.597083D+01  0.115129D+02
      6  -0.291511D+01  0.133587D+01 -0.839936D+00  0.366204D+01 -0.947125D+01
               186           187           188           189           190 
      1   0.147769D+01  0.870334D+01  0.815503D+00 -0.204957D+01  0.658226D+02
      2  -0.671898D+01 -0.131301D+01 -0.856576D+01  0.312110D+01 -0.358513D+02
      3   0.524129D+01 -0.739032D+01  0.775026D+01 -0.107153D+01 -0.299713D+02
      4   0.122693D+02 -0.120083D+02  0.176485D+02 -0.110810D+02  0.787104D+01
      5  -0.116417D+02  0.725423D+01 -0.112676D+02  0.969986D+01 -0.774524D+00
      6   0.904983D+01 -0.430564D+01  0.929920D+01 -0.769443D+01 -0.153209D+01
               191           192           193           194           195 
      1   0.160000D+02  0.191393D+01  0.341116D+02  0.114823D+02  0.571265D+00
      2  -0.102488D+02 -0.771697D+00 -0.188877D+02 -0.485360D+01 -0.938195D+00
      3  -0.575120D+01 -0.114223D+01 -0.152239D+02 -0.662872D+01  0.366930D+00
      4   0.114577D+02  0.191156D-01  0.125832D+02  0.106015D+02  0.213129D+01
      5  -0.576367D+00  0.852407D+01 -0.165639D+01  0.137841D+01  0.494922D+01
      6  -0.645894D+00 -0.908745D+00 -0.734238D+00 -0.159891D+01  0.141946D+01
               196           197           198           199           200 
      1   0.580054D+01  0.332652D+00  0.518633D+01  0.237627D+02 -0.341895D+01
      2  -0.252857D+01 -0.145642D+01 -0.356084D+01 -0.123303D+02 -0.455147D-01
      3  -0.327197D+01  0.112377D+01 -0.162548D+01 -0.114324D+02  0.346446D+01
      4  -0.826809D+00  0.305713D+01  0.375712D+00 -0.143394D+02  0.969301D+01
      5   0.930139D+01  0.114400D+01  0.646269D-01  0.130234D+02 -0.227116D+01
      6  -0.385675D+00  0.189435D+01  0.855671D+00 -0.488906D+01  0.903420D+00
               201           202           203           204           205 
      1   0.100631D+02 -0.483619D+00  0.250929D+01  0.572670D+00  0.164139D+02
      2  -0.579237D+01 -0.117589D+01 -0.736466D+00 -0.105780D+01 -0.975333D+01
      3  -0.427071D+01  0.165950D+01 -0.177282D+01  0.485131D+00 -0.666062D+01
      4  -0.612631D+01  0.740746D+01 -0.270109D+01  0.313239D+01 -0.965238D+01
      5   0.112560D+02 -0.492805D+00  0.311794D+01 -0.214456D+01  0.137110D+02
      6  -0.461111D+01  0.155871D+01 -0.164063D+01  0.358789D+01 -0.625724D+01
               206           207           208           209           210 
      1  -0.249724D-01  0.710552D+01 -0.129360D+01  0.466276D+01 -0.280443D+01
      2  -0.215361D+01 -0.666485D+01  0.466194D+01 -0.860422D+01  0.390976D+01
      3   0.217858D+01 -0.440667D+00 -0.336834D+01  0.394146D+01 -0.110533D+01
      4   0.711235D+01 -0.917383D+01 -0.660228D+01  0.113788D+02 -0.460465D+01
      5  -0.504127D+01  0.132124D+02  0.216992D+01 -0.354197D+01  0.402968D+01
      6   0.393630D+01 -0.602185D+01 -0.498272D+01  0.678535D+01 -0.368819D+01
               211           212           213           214           215 
      1   0.311121D+01 -0.287250D+02  0.121820D+02 -0.340897D+01  0.189863D+02
      2  -0.640239D+01  0.437421D+02 -0.155363D+02  0.522793D+01 -0.238453D+02
      3   0.329118D+01 -0.150171D+02  0.335425D+01 -0.181896D+01  0.485904D+01
      4   0.789717D+01 -0.112106D+02  0.551533D+01 -0.514988D+01  0.820083D+01
      5  -0.222265D+01  0.444934D+01 -0.250851D+01  0.367259D+01 -0.438841D+01
      6   0.510238D+01 -0.241951D+02  0.172462D+02 -0.380264D+01  0.242340D+02
               216           217           218           219           220 
      1  -0.149118D+02 -0.126478D+01 -0.510396D+01 -0.341483D+01 -0.288233D+01
      2   0.125777D+02  0.337888D+01  0.103055D+02  0.523302D+01  0.564676D+01
      3   0.233404D+01 -0.211410D+01 -0.520157D+01 -0.181819D+01 -0.276443D+01
      4  -0.447078D+01  0.775363D+01  0.799968D+01  0.513415D+01  0.582406D+01
      5   0.410283D+01  0.276638D+01  0.200374D+01  0.363744D+01  0.161703D+01
      6  -0.195298D+02  0.577151D+01  0.590418D+01  0.501354D+01  0.499950D+01
               221           222           223           224           225 
      1  -0.157083D+02 -0.645016D+01 -0.554373D+01 -0.117111D+02 -0.112832D+02
      2   0.247025D+02  0.885549D+01  0.562758D+01  0.162860D+02  0.109484D+02
      3  -0.899422D+01 -0.240534D+01 -0.838474D-01 -0.457493D+01  0.334776D+00
      4   0.630278D+01  0.415336D+01  0.659345D+01  0.539552D+01  0.473893D+01
      5   0.190154D+01  0.134377D+01  0.353832D+01  0.179719D+01  0.283555D+01
      6   0.110730D+02  0.124338D+02  0.594226D+01  0.168131D+02  0.166656D+02
               226           227           228           229           230 
      1   0.975382D+01 -0.779638D+00  0.526068D+01 -0.513412D+01 -0.216221D+01
      2  -0.756631D+01  0.437479D+00 -0.364660D+01  0.346858D+01  0.298180D+01
      3  -0.218751D+01  0.342159D+00 -0.161408D+01  0.166555D+01 -0.819592D+00
      4   0.145339D+01  0.126428D+01  0.298768D+01  0.177311D+01  0.312418D+01
      5   0.623919D+01  0.164782D+01  0.118041D+02  0.669644D+00  0.321499D+01
      6   0.257072D+01  0.766699D+00  0.349527D+01  0.117166D+01  0.559053D+00
               231           232           233           234           235 
      1  -0.463899D-01  0.139689D+02  0.153076D+01  0.522249D+01  0.651462D+02
      2   0.990362D+00 -0.824106D+01  0.143494D+01 -0.114612D+02 -0.379928D+02
      3  -0.943972D+00 -0.572784D+01 -0.296570D+01  0.623869D+01 -0.271534D+02
      4   0.369691D+01  0.906610D+01  0.944790D+01  0.562907D+01  0.609935D+01
      5  -0.225596D+00  0.178187D+02  0.397158D+01  0.372568D+02 -0.252138D+02
      6   0.359324D+01  0.597234D+01  0.517508D+01  0.164777D+02 -0.411910D+01
               236           237           238           239           240 
      1  -0.666802D+01 -0.183482D+02 -0.216054D+02  0.478622D+01  0.562150D+01
      2   0.567131D+01  0.125356D+02  0.134306D+02 -0.154583D+01 -0.523890D+01
      3   0.996717D+00  0.581259D+01  0.817481D+01 -0.324039D+01 -0.382601D+00
      4   0.868465D+01 -0.139060D+01  0.562075D+01 -0.334120D+01 -0.399018D+01
      5   0.230546D+01  0.175433D+02  0.757416D+01 -0.504285D+01 -0.650168D+01
      6  -0.974534D+00  0.374137D+01 -0.533814D+00 -0.210112D+00  0.549640D+00
               241           242           243           244           245 
      1  -0.257769D+02  0.236655D+01  0.126805D+02  0.882258D+00  0.540183D+01
      2   0.172005D+02 -0.389763D+01 -0.118439D+02  0.148277D+01 -0.442539D+01
      3   0.857638D+01  0.153108D+01 -0.836533D+00 -0.236503D+01 -0.976441D+00
      4  -0.375063D+01 -0.706802D+01  0.890844D+00  0.177890D+01  0.388417D+01
      5   0.213996D+02 -0.185591D+01 -0.132334D+02 -0.248627D+01 -0.547062D+00
      6   0.391307D+01  0.221303D+01 -0.142429D+01 -0.203408D+01  0.514787D+00
               246           247           248           249           250 
      1  -0.320091D+01  0.546530D+01 -0.208193D+02  0.476770D+01 -0.505175D+01
      2   0.173975D+01  0.293269D+01  0.441323D+02 -0.672966D+01  0.175863D+01
      3   0.146117D+01 -0.839799D+01 -0.233129D+02  0.196196D+01  0.329312D+01
      4  -0.113736D+01  0.166335D+02  0.466062D+02 -0.806566D+01 -0.446731D+01
      5   0.176077D+01 -0.226918D+01 -0.851769D+01  0.770297D+01  0.515731D+01
      6  -0.596647D+00 -0.247889D+01 -0.127971D+02  0.954315D+01  0.218725D+01
               251           252 
      1   0.496271D+01 -0.218291D+01
      2  -0.746551D+01  0.293424D+01
      3   0.250280D+01 -0.751338D+00
      4  -0.998099D+01  0.622524D+01
      5   0.640268D+01 -0.214144D+01
      6   0.950701D+01 -0.435522D+01
 Leave Link  716 at Thu Jul 22 20:09:42 2021, MaxMem= 17179869184 cpu:              12.7 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124237D+03 -0.824937D-01  0.609555D+00
      2  -0.824937D-01  0.111154D+03 -0.286799D-01
      3   0.609555D+00 -0.286799D-01  0.107250D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.231139D+01  0.110298D+01  0.256266D+01
      2   0.288697D+01 -0.710088D+00  0.606205D+01
      3   0.412237D+01  0.284358D+01 -0.163363D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.439529D+01 -0.208484D+02  0.108801D+02
      2  -0.648712D+01  0.107256D+02 -0.380200D+01
      3   0.108824D+02  0.101228D+02 -0.707811D+01
      4  -0.284265D+02 -0.978603D+01  0.285209D+01
      5   0.178385D+02  0.191786D+01  0.159367D+02
      6   0.988994D+00  0.432328D+01 -0.413960D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.932740D+00 -0.263576D+01  0.117899D+01 -0.309809D+01  0.643388D-01
      2  -0.263576D+01 -0.430132D+00  0.117041D+01  0.643388D-01  0.301317D+01
      3   0.117899D+01  0.117041D+01  0.282198D+01  0.161047D+01 -0.124860D+01
                 6             7             8             9            10 
      1   0.161047D+01  0.968695D+00  0.195749D+01  0.407852D+01 -0.216424D+00
      2  -0.124860D+01  0.195749D+01 -0.190833D+01 -0.204366D+01  0.336403D+01
      3  -0.153748D+01  0.407852D+01 -0.204366D+01 -0.168232D+00  0.151144D+01
                11            12            13            14            15 
      1   0.336403D+01  0.151144D+01  0.413430D+01  0.647704D+00  0.116561D+00
      2   0.130092D+01 -0.149526D+00  0.647704D+00 -0.495365D+01  0.558067D+00
      3  -0.149526D+00 -0.201383D+01  0.116561D+00  0.558067D+00  0.107191D+01
                16            17            18            19            20 
      1   0.245864D+01  0.442877D-01 -0.222752D+01  0.799460D+00  0.169645D+01
      2   0.442877D-01  0.147173D+01  0.124399D+01  0.169645D+01  0.563825D+00
      3  -0.222752D+01  0.124399D+01 -0.590264D+01 -0.724758D+00 -0.320787D+01
                21            22            23            24            25 
      1  -0.724758D+00  0.209092D+01  0.476231D+00 -0.303636D+01 -0.606241D+00
      2  -0.320787D+01  0.476231D+00 -0.353538D+01  0.140925D+01 -0.370249D+01
      3  -0.668778D+00 -0.303636D+01  0.140925D+01 -0.242919D+01 -0.847222D+00
                26            27            28            29            30 
      1  -0.370249D+01 -0.847222D+00 -0.238547D+01 -0.219099D+01  0.683651D+00
      2   0.189771D+01 -0.372713D+01 -0.219099D+01 -0.177780D+01  0.444521D+01
      3  -0.372713D+01 -0.418462D+00  0.683651D+00  0.444521D+01 -0.130051D+01
                31            32            33            34            35 
      1  -0.249350D+01 -0.161202D+01  0.450307D+01  0.791996D+00  0.514027D+01
      2  -0.161202D+01  0.151976D+01  0.533347D+00  0.514027D+01 -0.538910D+00
      3   0.450307D+01  0.533347D+00  0.256972D+01 -0.145093D+01  0.217027D+01
                36            37            38            39            40 
      1  -0.145093D+01  0.446166D+01  0.454108D+01  0.315766D+01  0.540246D+01
      2   0.217027D+01  0.454108D+01  0.137876D+01 -0.150500D+01  0.237752D+01
      3  -0.834252D+00  0.315766D+01 -0.150500D+01  0.575908D+00 -0.211457D+01
                41            42            43            44            45 
      1   0.237752D+01 -0.211457D+01  0.411969D+01 -0.201062D+01  0.227303D+00
      2  -0.291417D+01  0.288622D+01 -0.201062D+01  0.392523D+01 -0.256060D+01
      3   0.288622D+01 -0.241574D+01  0.227303D+00 -0.256060D+01 -0.199979D+01
                46            47            48            49            50 
      1  -0.356741D+01 -0.312139D+01 -0.281761D+01 -0.359807D+01 -0.175930D+00
      2  -0.312139D+01 -0.314822D+00 -0.248561D+00 -0.175930D+00  0.815947D+01
      3  -0.281761D+01 -0.248561D+00 -0.114536D+01 -0.133743D+00 -0.795211D+00
                51            52            53            54            55 
      1  -0.133743D+00 -0.516860D+01 -0.456690D+00 -0.231313D+00  0.146071D+01
      2  -0.795211D+00 -0.456690D+00 -0.631542D+00 -0.200544D+01 -0.257788D+00
      3  -0.250443D+01 -0.231313D+00 -0.200544D+01  0.371607D+01  0.319898D+01
                56            57            58            59            60 
      1  -0.257788D+00  0.319898D+01 -0.462027D+00 -0.185571D+01 -0.320545D+01
      2  -0.169509D+01 -0.335755D+01 -0.185571D+01 -0.151447D+01 -0.175512D+01
      3  -0.335755D+01  0.575351D+00 -0.320545D+01 -0.175512D+01  0.246722D+01
                61            62            63            64            65 
      1   0.278466D+01 -0.250701D+01  0.484595D+00 -0.286902D+01  0.170955D+01
      2  -0.250701D+01 -0.130557D+01  0.198491D+01  0.170955D+01 -0.126735D+01
      3   0.484595D+00  0.198491D+01 -0.650835D+00  0.170212D+01 -0.104292D+01
                66            67            68            69            70 
      1   0.170212D+01  0.177895D+01 -0.158756D+01 -0.117965D+01  0.292405D+01
      2  -0.104292D+01 -0.158756D+01  0.230787D+01  0.187161D+01 -0.172237D+01
      3  -0.186096D+01 -0.117965D+01  0.187161D+01  0.167380D+01 -0.295432D+01
                71            72            73            74            75 
      1  -0.172237D+01 -0.295432D+01  0.153757D+01 -0.380439D+01 -0.268831D+01
      2   0.261574D+01  0.231524D+01 -0.380439D+01 -0.176158D+01  0.629947D+00
      3   0.231524D+01  0.408203D+01 -0.268831D+01  0.629947D+00  0.232672D+01
                76            77            78            79            80 
      1  -0.512438D+01 -0.495791D+00  0.541730D+00 -0.354535D+01  0.235134D+00
      2  -0.495791D+00  0.613394D+01 -0.202004D+01  0.235134D+00 -0.221713D+01
      3   0.541730D+00 -0.202004D+01 -0.511015D+00  0.296009D+01 -0.669558D-01
                81            82            83            84            85 
      1   0.296009D+01  0.703481D+00 -0.616581D+00  0.103596D+01 -0.914528D+00
      2  -0.669558D-01 -0.616581D+00 -0.158859D+00 -0.231646D-01 -0.226443D+00
      3   0.471510D+01  0.103596D+01 -0.231646D-01  0.684557D+00  0.118111D+00
                86            87            88            89            90 
      1  -0.226443D+00  0.118111D+00  0.197625D+01  0.268315D+00  0.407845D+00
      2  -0.357148D+00  0.112351D+01  0.268315D+00  0.121813D+01 -0.121593D+01
      3   0.112351D+01 -0.109179D+01  0.407845D+00 -0.121593D+01  0.766562D+01
                91            92            93            94            95 
      1   0.561454D+01  0.290127D+01 -0.238378D+01  0.242893D+01  0.218807D+01
      2   0.290127D+01  0.277607D+01 -0.185609D+01  0.218807D+01  0.352515D+01
      3  -0.238378D+01 -0.185609D+01  0.217031D+01 -0.159010D+01 -0.159087D+01
                96            97            98            99           100 
      1  -0.159010D+01 -0.195372D+01 -0.160432D+01  0.211441D+01 -0.160263D+01
      2  -0.159087D+01 -0.160432D+01 -0.144750D+01  0.153119D+01 -0.448349D+01
      3   0.125674D+01  0.211441D+01  0.153119D+01 -0.246009D+01 -0.298913D+01
               101           102           103           104           105 
      1  -0.448349D+01 -0.298913D+01 -0.493880D+01 -0.175443D+01  0.116155D+01
      2  -0.115931D+01  0.909938D+00 -0.175443D+01  0.127470D+01 -0.389774D+01
      3   0.909938D+00  0.541983D+00  0.116155D+01 -0.389774D+01  0.277266D+01
               106           107           108           109           110 
      1  -0.271598D+01  0.143371D+01  0.504744D+00 -0.206159D+01 -0.444354D+01
      2   0.143371D+01 -0.320164D+01  0.256768D+01 -0.444354D+01 -0.881313D+00
      3   0.504744D+00  0.256768D+01  0.156945D+01 -0.208105D+01  0.119786D+01
               111           112           113           114           115 
      1  -0.208105D+01 -0.531466D+01 -0.236475D+01  0.149791D+01 -0.225665D+01
      2   0.119786D+01 -0.236475D+01  0.305259D+01 -0.259267D+01  0.137497D+01
      3   0.331970D+00  0.149791D+01 -0.259267D+01  0.271386D+01 -0.410747D+00
               116           117           118           119           120 
      1   0.137497D+01 -0.410747D+00  0.817483D-01 -0.108142D+01  0.493577D+00
      2  -0.298006D+01  0.320508D+01 -0.108142D+01  0.433675D+00 -0.768730D-01
      3   0.320508D+01  0.416554D+01  0.493577D+00 -0.768730D-01  0.898636D-01
               121           122           123           124           125 
      1  -0.161585D+01 -0.305113D+00  0.115918D+00  0.802514D+00  0.101855D+00
      2  -0.305113D+00 -0.103846D+02  0.113969D+00  0.101855D+00  0.307798D+00
      3   0.115918D+00  0.113969D+00 -0.882162D+00 -0.988951D-01 -0.107826D+01
               126           127           128           129           130 
      1  -0.988951D-01  0.190325D+01 -0.945918D+00 -0.208546D+01 -0.106519D+01
      2  -0.107826D+01 -0.945918D+00  0.127075D+01  0.125348D+01  0.104432D+01
      3  -0.111024D+00 -0.208546D+01  0.125348D+01  0.270332D+01  0.115751D+01
               131           132           133           134           135 
      1   0.104432D+01  0.115751D+01 -0.191392D+01  0.948873D+00  0.193241D+01
      2  -0.175062D+01 -0.165655D+01  0.948873D+00 -0.153449D+01 -0.219951D+01
      3  -0.165655D+01 -0.276738D+01  0.193241D+01 -0.219951D+01 -0.576422D+01
               136           137           138           139           140 
      1  -0.479465D+01  0.357509D+00 -0.304742D+01  0.864346D+00 -0.663801D+00
      2   0.357509D+00 -0.840222D+00  0.644188D+00 -0.663801D+00  0.700355D+00
      3  -0.304742D+01  0.644188D+00 -0.370233D+01  0.969044D+00 -0.692986D+00
               141           142           143           144           145 
      1   0.969044D+00 -0.225473D+01  0.495487D+00 -0.225775D+01 -0.374633D+01
      2  -0.692986D+00  0.495487D+00 -0.510743D+00  0.123897D+00  0.165572D+01
      3   0.843288D+00 -0.225775D+01  0.123897D+00 -0.392680D+01  0.108101D+01
               146           147           148           149           150 
      1   0.165572D+01  0.108101D+01  0.196994D+01 -0.803363D+00 -0.735342D+00
      2  -0.120043D+01 -0.101570D+01 -0.803363D+00  0.140819D+01  0.164869D+01
      3  -0.101570D+01 -0.251553D+01 -0.735342D+00  0.164869D+01  0.130025D+01
               151           152           153           154           155 
      1   0.125261D+01 -0.836432D+00 -0.126953D+01  0.626133D+01  0.285039D+01
      2  -0.836432D+00  0.144148D+01  0.738278D+00  0.285039D+01  0.225717D+01
      3  -0.126953D+01  0.738278D+00  0.221434D+01  0.254027D+01  0.101548D+01
               156           157           158           159           160 
      1   0.254027D+01  0.349773D+01  0.238672D+01  0.123612D+01  0.832945D+00
      2   0.101548D+01  0.238672D+01  0.244089D+01  0.155351D+01  0.307968D+00
      3   0.229949D+01  0.123612D+01  0.155351D+01  0.123750D+01  0.113761D+01
               161           162           163           164           165 
      1   0.307968D+00  0.113761D+01  0.975920D+00 -0.363989D+00  0.127468D+01
      2   0.608929D+00  0.499708D+00 -0.363989D+00  0.586773D+00 -0.413249D+00
      3   0.499708D+00  0.801731D+00  0.127468D+01 -0.413249D+00  0.754384D+00
               166           167           168           169           170 
      1  -0.117357D+01  0.124846D+01 -0.132671D+01  0.117839D+01 -0.702439D+00
      2   0.124846D+01 -0.398206D+01  0.312944D+01 -0.702439D+00  0.210318D+01
      3  -0.132671D+01  0.312944D+01 -0.448598D+01  0.109953D+01 -0.250838D+01
               171           172           173           174           175 
      1   0.109953D+01  0.473220D+00  0.171275D+00 -0.588577D+00 -0.709141D-01
      2  -0.250838D+01  0.171275D+00  0.582451D-01  0.742928D-01  0.728924D+00
      3   0.438168D+01 -0.588577D+00  0.742928D-01  0.388388D+00  0.252390D+00
               176           177           178           179           180 
      1   0.728924D+00  0.252390D+00 -0.197268D+01  0.768157D+00  0.141120D+01
      2  -0.154060D+01 -0.107543D+01  0.768157D+00 -0.156317D+01 -0.218580D+01
      3  -0.107543D+01 -0.181474D+01  0.141120D+01 -0.218580D+01 -0.621716D+01
               181           182           183           184           185 
      1   0.145470D+01 -0.841302D+00  0.761365D+00 -0.210212D+01  0.288770D+01
      2  -0.841302D+00  0.885410D+00 -0.469866D+00  0.288770D+01 -0.632424D+01
      3   0.761365D+00 -0.469866D+00  0.245159D+00 -0.932867D+00  0.217273D+01
               186           187           188           189           190 
      1  -0.932867D+00  0.213496D+01 -0.155707D+01  0.102585D+01  0.874040D+01
      2   0.217273D+01 -0.155707D+01  0.309569D+01 -0.203689D+01  0.195939D+01
      3  -0.196758D+01  0.102585D+01 -0.203689D+01  0.167663D+01  0.290835D+00
               191           192           193           194           195 
      1   0.195939D+01  0.290835D+00  0.502817D+01  0.194778D+01 -0.938337D-01
      2   0.155613D+01  0.971350D-02  0.194778D+01  0.147643D+01  0.349916D+00
      3   0.971350D-02  0.873048D+00 -0.938337D-01  0.349916D+00  0.569476D+00
               196           197           198           199           200 
      1   0.921274D+00 -0.962637D-01  0.108894D+01 -0.443371D+01  0.100114D+01
      2  -0.962637D-01  0.507201D+00  0.442747D-01  0.100114D+01 -0.121343D+01
      3   0.108894D+01  0.442747D-01 -0.836128D-01 -0.209850D+01  0.383587D+00
               201           202           203           204           205 
      1  -0.209850D+01  0.602494D+00 -0.804893D+00  0.114220D+00 -0.348204D+01
      2   0.383587D+00 -0.804893D+00  0.530726D-01 -0.462229D+00  0.310915D+00
      3  -0.174492D+01  0.114220D+00 -0.462229D+00  0.362891D+00 -0.211986D+01
               206           207           208           209           210 
      1   0.310915D+00 -0.211986D+01 -0.124776D+01  0.128652D+01 -0.690851D+00
      2  -0.135295D+01  0.875646D+00  0.128652D+01 -0.171460D+01  0.101788D+01
      3   0.875646D+00 -0.254021D+01 -0.690851D+00  0.101788D+01 -0.431292D+00
               211           212           213           214           215 
      1   0.101471D+01 -0.128994D+01  0.729824D+00 -0.114742D+01  0.124851D+01
      2  -0.128994D+01  0.742538D+01 -0.299183D+01  0.124851D+01 -0.472436D+01
      3   0.729824D+00 -0.299183D+01  0.216686D+01 -0.487769D+00  0.332768D+01
               216           217           218           219           220 
      1  -0.487769D+00  0.168605D+01  0.928156D+00  0.114004D+01  0.827854D+00
      2   0.332768D+01  0.928156D+00  0.186341D+01  0.120016D+01  0.100284D+01
      3  -0.295303D+01  0.114004D+01  0.120016D+01  0.120080D+01  0.866681D+00
               221           222           223           224           225 
      1   0.100284D+01  0.866681D+00  0.155764D+01  0.114615D+01  0.115184D+01
      2   0.428219D+01  0.170816D+01  0.114615D+01  0.302100D+01  0.271995D+01
      3   0.170816D+01  0.188694D+01  0.115184D+01  0.271995D+01  0.325980D+01
               226           227           228           229           230 
      1  -0.133517D+01  0.201307D+00 -0.983242D+00  0.814415D+00 -0.224552D+00
      2   0.201307D+00 -0.325796D-01 -0.230314D+00 -0.224552D+00 -0.594549D+00
      3  -0.983242D+00 -0.230314D+00 -0.129575D+01 -0.107547D+00 -0.583324D+00
               231           232           233           234           235 
      1  -0.107547D+00 -0.285073D+01 -0.935617D+00 -0.222738D+01 -0.875745D+01
      2  -0.583324D+00 -0.935617D+00 -0.143168D+01 -0.636599D+00  0.644730D+00
      3   0.594910D-01 -0.222738D+01 -0.636599D+00 -0.616005D+01  0.270993D+01
               236           237           238           239           240 
      1   0.644730D+00  0.270993D+01  0.321600D+01 -0.938926D+00 -0.800681D+00
      2  -0.103797D+01 -0.282416D+00 -0.938926D+00  0.359315D+00  0.696750D+00
      3  -0.282416D+00 -0.185706D+01 -0.800681D+00  0.696750D+00  0.786227D+00
               241           242           243           244           245 
      1   0.408247D+01 -0.761764D-01 -0.242760D+01 -0.691426D-01 -0.481955D+00
      2  -0.761764D-01  0.110547D+01  0.224269D+00 -0.481955D+00  0.554367D+00
      3  -0.242760D+01  0.224269D+00  0.145889D+01  0.418185D+00 -0.730453D-01
               246           247           248           249           250 
      1   0.418185D+00 -0.169953D+01 -0.189739D+01  0.265744D+00  0.108129D+01
      2  -0.730453D-01 -0.189739D+01 -0.928097D+01  0.160742D+01  0.425401D+00
      3  -0.469093D-01  0.265744D+00  0.160742D+01 -0.133137D+01 -0.614027D+00
               251           252 
      1   0.425401D+00 -0.614027D+00
      2   0.202878D+01 -0.130692D+01
      3  -0.130692D+01  0.483546D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.461199D+01 -0.328745D+01 -0.328159D+01 -0.354341D+01  0.631366D+01
      2  -0.328417D+01 -0.205898D+01 -0.596273D+01 -0.245982D+01  0.292679D+01
      3  -0.758463D+01 -0.952798D+01  0.589277D+01 -0.294403D+01  0.660974D+01
                 6             7             8             9            10 
      1   0.564577D+00 -0.417586D+01  0.549246D+01 -0.511324D+00  0.421366D+01
      2   0.370773D+01 -0.138413D+02  0.454383D+01 -0.290567D+00 -0.339213D+01
      3  -0.160441D+00  0.723761D+01 -0.480816D+00  0.699835D+00  0.769209D+01
                11            12            13            14            15 
      1   0.227657D+01 -0.142206D+01  0.185126D+01 -0.377589D+01 -0.984367D+00
      2  -0.123355D+01  0.458390D+01 -0.150097D+01 -0.243345D+01 -0.161974D+01
      3  -0.437238D+01 -0.230898D+01  0.315315D+01 -0.104661D+02  0.138910D+01
                16            17            18            19            20 
      1  -0.425355D+00  0.619875D+01 -0.435490D+01  0.196693D+01  0.972129D+01
      2  -0.130191D+00 -0.224930D+01  0.133993D+02 -0.202032D+01  0.126455D+01
      3  -0.244472D+01  0.278057D+01  0.192037D+01  0.308537D+01  0.417495D+01
                21            22            23            24            25 
      1   0.269086D+01  0.940015D+01 -0.292955D+01  0.501596D+01  0.425502D+01
      2   0.214548D+01  0.143814D+01  0.477535D-01 -0.551340D+00 -0.229066D+01
      3  -0.242810D+01  0.105332D+02  0.105012D+00 -0.774004D+01 -0.292484D+01
                26            27            28            29            30 
      1   0.127995D+02  0.352561D+01  0.758260D+00 -0.718727D+01 -0.480986D+01
      2  -0.149736D+01  0.137743D+01 -0.428859D+00  0.373377D+01  0.189650D+01
      3  -0.846540D+01 -0.261400D+01  0.169376D+01 -0.576907D+01 -0.186092D+01
                31            32            33            34            35 
      1  -0.681588D+01 -0.271981D+01 -0.741128D+01 -0.367239D+01 -0.528921D+00
      2   0.334609D+01  0.285580D+00  0.781990D+01 -0.489675D+01  0.962835D+01
      3   0.105252D+01 -0.393379D+01  0.580183D+01 -0.410361D+01  0.713462D+01
                36            37            38            39            40 
      1  -0.257699D+01  0.423964D+01  0.353036D+00 -0.469730D-01  0.178823D+01
      2  -0.163253D+01  0.474388D+01 -0.399392D+01  0.397584D+01 -0.580578D+01
      3  -0.348488D+01 -0.107274D+02 -0.962819D+01  0.132103D+01 -0.207795D+01
                41            42            43            44            45 
      1   0.560394D+00 -0.431848D+01 -0.911111D+00  0.480083D+01 -0.335851D+01
      2   0.612389D+01 -0.592637D+01 -0.663241D+01 -0.606006D+01 -0.579990D+01
      3   0.353647D+01 -0.483252D+01  0.127320D+01 -0.761962D+01  0.614683D+01
                46            47            48            49            50 
      1  -0.554807D+01 -0.611587D+00 -0.958198D+00  0.281943D+00  0.169763D+00
      2  -0.179649D+01 -0.102599D+01  0.115593D+01  0.643256D-01  0.392905D+00
      3   0.429609D+01  0.195032D+01  0.314512D+01  0.102785D+02  0.352054D+01
                51            52            53            54            55 
      1  -0.745385D+01 -0.269550D+01 -0.163991D+01  0.872793D+01  0.257506D+01
      2   0.209360D+01 -0.578850D+01 -0.149851D+00 -0.226071D+01  0.451833D+01
      3   0.381578D+00  0.599090D+01  0.171662D+00 -0.592978D+00 -0.475423D+00
                56            57            58            59            60 
      1   0.548834D+01  0.932052D+01  0.247100D+01  0.283934D+01  0.483868D+01
      2  -0.230025D+01  0.123190D+02 -0.213459D+01 -0.670381D+01 -0.976586D+01
      3  -0.171882D+01 -0.214013D+01  0.282500D+01  0.115592D+01  0.150389D+01
                61            62            63            64            65 
      1   0.829083D+01  0.795804D+01 -0.701977D+01 -0.169568D+01  0.339017D+00
      2   0.491857D+01 -0.716165D+01  0.505860D+00 -0.183569D+01  0.155028D+01
      3  -0.127908D+01  0.126202D+01  0.146395D+00 -0.112491D+01 -0.171405D+01
                66            67            68            69            70 
      1   0.286905D+01  0.133074D+01 -0.109230D+01 -0.290482D+01  0.360900D+01
      2   0.460039D+01  0.113889D+01 -0.337982D+01 -0.370028D+01  0.269180D+01
      3   0.220143D+00  0.168574D+01  0.257292D+01  0.146825D+01  0.178842D+01
                71            72            73            74            75 
      1   0.224666D+00 -0.583837D+01 -0.555564D+01 -0.474401D+00  0.351381D+01
      2  -0.389262D+01 -0.800915D+01  0.966725D+01 -0.913849D-01 -0.496943D+01
      3   0.418665D+01  0.154273D+00 -0.156611D+02 -0.151264D+01  0.587093D+01
                76            77            78            79            80 
      1  -0.666648D-01 -0.266281D+01 -0.238732D+01  0.506661D+01  0.162105D+01
      2  -0.266335D+00  0.664673D+01  0.117499D+01 -0.119261D+02 -0.112159D+01
      3   0.912934D+01  0.216984D+02 -0.776901D+01  0.581690D+01 -0.720719D+01
                81            82            83            84            85 
      1   0.710905D+01  0.231602D+00 -0.311187D+00  0.632597D+00 -0.268409D+00
      2  -0.162093D+02 -0.350389D+01  0.277370D+00 -0.174110D+01  0.651936D+00
      3  -0.430400D+01 -0.197395D+01 -0.211338D+00 -0.421998D+00  0.228192D+01
                86            87            88            89            90 
      1   0.389487D+00 -0.594095D+00  0.845244D+00  0.289468D+01  0.436424D+01
      2  -0.152464D+01  0.139900D+01 -0.648435D+01  0.136163D+01 -0.136708D+02
      3   0.452819D+00  0.197604D+01 -0.130401D+01  0.203012D+01 -0.140540D+01
                91            92            93            94            95 
      1  -0.317777D+00 -0.161212D+01 -0.190427D+01 -0.488623D+00 -0.263088D+01
      2   0.419323D+01  0.883597D+00  0.233661D+01  0.172479D+01  0.670893D+00
      3   0.545146D+01 -0.222388D+01 -0.837709D+00  0.296361D+01 -0.175511D+01
                96            97            98            99           100 
      1  -0.161078D+01 -0.962319D+00  0.164221D+01  0.244306D+01 -0.924452D+01
      2   0.895604D+00 -0.159034D+01 -0.340423D+00 -0.145675D+01 -0.210863D+01
      3  -0.317914D+00 -0.177550D+01  0.238066D+00  0.112961D+01  0.817458D+01
               101           102           103           104           105 
      1  -0.199300D+01  0.182070D+01 -0.486611D+01  0.265861D+01 -0.125284D+02
      2   0.112740D+02  0.112928D+02  0.130242D+02 -0.404043D+01  0.284163D+01
      3  -0.547174D+00 -0.261846D+01  0.452655D+01 -0.250080D+01  0.768461D+01
               106           107           108           109           110 
      1   0.356610D+01 -0.579890D+01  0.581861D+01 -0.828513D+00  0.157953D+01
      2   0.542330D+01  0.166003D+01  0.134960D+01 -0.649293D+01  0.238668D+01
      3  -0.339679D+01  0.623140D+01 -0.461150D+01  0.171863D+02  0.747943D+01
               111           112           113           114           115 
      1  -0.286053D+00  0.237999D+01 -0.408869D+01  0.264013D+01 -0.215363D+01
      2   0.167200D+01  0.216392D+01 -0.830068D+01  0.988147D+01 -0.587327D+01
      3  -0.160220D+01  0.160632D+02 -0.815094D+01  0.611228D+01 -0.156599D+01
               116           117           118           119           120 
      1   0.725529D+01  0.524796D+01  0.114042D+01 -0.696235D-01 -0.679703D-01
      2   0.116432D+02  0.147981D+02 -0.407161D+00 -0.169916D+00  0.925083D+00
      3   0.658063D+01 -0.982886D+01 -0.192047D+00  0.116116D-01 -0.572160D+00
               121           122           123           124           125 
      1   0.319601D+00  0.242442D+01 -0.535857D+01  0.160442D+00 -0.449257D+00
      2  -0.936355D-01 -0.608410D+00  0.304098D+00 -0.133759D+01  0.178691D+00
      3   0.698618D+01 -0.132313D+01 -0.113609D+00 -0.139359D+01 -0.231479D+00
               126           127           128           129           130 
      1  -0.543568D-01  0.164556D+01 -0.401992D+01 -0.187496D+01 -0.250571D+01
      2   0.183413D-01  0.605059D+01 -0.239198D+01 -0.331876D+01 -0.353324D+01
      3  -0.492879D-01 -0.121256D+01 -0.622059D+00  0.884882D+00  0.223314D+01
               131           132           133           134           135 
      1   0.406268D+01  0.868592D+00 -0.201124D+01  0.423473D+01  0.243104D+01
      2   0.243105D+01  0.232107D+01 -0.689616D+01  0.239312D+01  0.226785D+01
      3  -0.137867D+00 -0.170520D+00  0.151825D+01  0.530679D+00 -0.476486D+00
               136           137           138           139           140 
      1  -0.166916D+01  0.421053D+01 -0.248026D+01  0.192902D+01 -0.245581D+01
      2  -0.144562D+02  0.957466D+00 -0.413099D+01  0.273541D+01 -0.152143D+01
      3   0.117005D+01 -0.266435D+01  0.113068D+01  0.517640D+00  0.604794D+00
               141           142           143           144           145 
      1   0.920479D-01 -0.167483D+01  0.270699D+01 -0.918444D+00  0.399079D+01
      2   0.191127D+01 -0.677001D+01  0.950617D+00 -0.383673D+01  0.138651D+02
      3  -0.356670D+00  0.337064D+00 -0.164169D+01  0.861690D+00 -0.522576D+01
               146           147           148           149           150 
      1  -0.399625D+01 -0.648716D+00 -0.265282D+01  0.366460D+01  0.170977D+01
      2  -0.576096D+01 -0.446764D+01 -0.693898D+01  0.460986D+01  0.296468D+01
      3   0.144622D+01  0.169204D+01  0.382827D+01 -0.213668D+01 -0.249806D+01
               151           152           153           154           155 
      1  -0.169494D+01  0.414450D+01  0.404973D+00  0.577760D+01  0.539965D+01
      2  -0.687491D+01  0.330351D+01  0.494196D+01 -0.851794D+01 -0.390971D+01
      3   0.227052D+01 -0.171259D+01 -0.144940D+01 -0.233308D+01 -0.546474D+01
               156           157           158           159           160 
      1   0.563816D+00  0.449835D+01  0.513513D+01  0.116113D+01  0.620471D+00
      2   0.180780D+01 -0.579528D+01 -0.184770D+01  0.836362D+00 -0.149109D+01
      3  -0.147720D+01 -0.131879D+01 -0.472389D+01 -0.224777D+01 -0.132744D+00
               161           162           163           164           165 
      1   0.215855D+01  0.837793D+00 -0.673959D+00  0.167033D+01 -0.799012D+00
      2  -0.337118D+00 -0.917012D+00  0.575525D+00 -0.141468D+00 -0.448377D-03
      3  -0.111866D+01 -0.436449D+00  0.536185D+00 -0.177072D+01  0.897022D+00
               166           167           168           169           170 
      1   0.265318D+01 -0.103063D+02  0.452441D+01 -0.186833D+01  0.719316D+01
      2   0.157196D+01  0.314901D+01 -0.593926D+01 -0.254950D+01 -0.264974D+01
      3   0.689783D-02  0.697033D+01 -0.520207D+01  0.495184D+00 -0.407227D+01
               171           172           173           174           175 
      1  -0.537293D+01 -0.984804D+00 -0.108511D-01  0.102598D+00 -0.194426D+00
      2   0.535385D+01 -0.138005D+01  0.526431D+00  0.103893D+01  0.657381D-01
      3   0.436072D+01 -0.578279D+00 -0.936910D+00  0.440194D+00 -0.502003D+00
               176           177           178           179           180 
      1   0.126264D+00 -0.292199D+01  0.499341D+00  0.473339D+00 -0.783307D+01
      2  -0.251502D+01 -0.563351D+01 -0.842445D+00 -0.573777D+01 -0.193184D+02
      3   0.326225D+01  0.276194D+01  0.115455D+01  0.422466D+01  0.537145D+01
               181           182           183           184           185 
      1   0.116531D+01 -0.850869D+00  0.779155D+00 -0.165543D+01  0.344140D+01
      2   0.240093D+01 -0.170563D+01  0.198942D+01 -0.229867D+01  0.715411D+01
      3   0.109748D+01 -0.329852D+01  0.578905D+00 -0.343052D+01  0.159229D+02
               186           187           188           189           190 
      1  -0.569562D+01  0.111389D+01 -0.181503D+01  0.368849D+01 -0.340248D+00
      2  -0.705179D+01  0.151859D+01 -0.579210D+01  0.526210D+01  0.282982D+01
      3  -0.545370D+01  0.684574D+00 -0.789957D+01  0.493892D+01 -0.147678D+02
               191           192           193           194           195 
      1  -0.398917D+00  0.287975D+00 -0.502590D+00 -0.140477D+00 -0.935223D+00
      2   0.933728D+00  0.552934D+01  0.974156D+00  0.169579D+01  0.290904D+01
      3  -0.977958D+01 -0.459316D+00 -0.872868D+01 -0.785088D+01 -0.113301D+01
               196           197           198           199           200 
      1   0.850564D+00  0.459156D+00 -0.230022D+00  0.346333D+01  0.340457D+00
      2   0.194556D+01  0.155406D-01  0.606122D-01  0.477238D+01 -0.934932D+00
      3  -0.334913D+00 -0.181130D+01 -0.995254D+00 -0.444440D+01 -0.337866D+01
               201           202           203           204           205 
      1   0.289966D+01 -0.105310D+00  0.497752D+00 -0.154665D+01  0.272434D+01
      2   0.629590D+01 -0.222250D+00  0.123502D+01 -0.828101D+00  0.352851D+01
      3  -0.235577D+01  0.389650D+00 -0.184445D+01 -0.693369D+00 -0.473197D+01
               206           207           208           209           210 
      1   0.424346D-01  0.462836D+01  0.107344D+01 -0.237476D+01  0.139332D+01
      2  -0.172481D+01  0.752256D+01 -0.734873D+00  0.284011D+00  0.105926D+01
      3  -0.369519D+01 -0.133275D+01 -0.329583D+01  0.940505D+00 -0.131391D+01
               211           212           213           214           215 
      1  -0.146692D+01  0.439367D+01 -0.699080D+01  0.203017D+00 -0.461600D+01
      2   0.100282D+01  0.161239D+00 -0.856553D+00 -0.187678D+01 -0.141676D+00
      3   0.438157D+01 -0.664442D+00  0.883243D+00 -0.402607D+01  0.121186D+01
               216           217           218           219           220 
      1   0.727452D+01 -0.329776D+01 -0.296131D+01 -0.424509D+01 -0.251230D+01
      2   0.728766D+00  0.684593D-01 -0.351093D+00  0.777235D+00 -0.977140D+00
      3   0.100765D+00  0.538671D+01  0.599410D+00  0.327877D+01  0.354276D+01
               221           222           223           224           225 
      1  -0.404820D+01 -0.658984D+01 -0.362994D+01 -0.548853D+01 -0.108135D+02
      2  -0.527106D+00  0.211278D+00 -0.198218D+01 -0.315491D+00 -0.764038D+00
      3   0.240214D+01  0.273155D+01  0.600716D+01  0.303322D+01  0.319595D+01
               226           227           228           229           230 
      1  -0.166389D+01  0.229361D-01 -0.198092D+01 -0.333183D+00 -0.863070D+00
      2   0.330847D+01  0.900918D+00  0.460349D+01  0.791864D+00  0.175288D+01
      3   0.212833D+01 -0.109371D+01  0.673278D+00 -0.340501D+00 -0.100138D+01
               231           232           233           234           235 
      1  -0.763308D+00 -0.259344D+01  0.193968D+01 -0.975898D+01  0.370865D+01
      2  -0.542510D+00  0.325602D+01  0.126209D+01  0.211687D+02 -0.486539D+01
      3  -0.134532D+01  0.126789D+01 -0.401962D+01  0.141726D+01  0.139024D+02
               236           237           238           239           240 
      1  -0.141812D+01 -0.229705D+01 -0.110833D+01  0.134321D+01  0.532456D+00
      2   0.870852D+00  0.761704D+01  0.105371D+01 -0.185519D+01 -0.296998D+01
      3  -0.692963D+01 -0.480576D+01 -0.546161D+01  0.313147D+01  0.314114D+01
               241           242           243           244           245 
      1  -0.273063D+01  0.206111D+01  0.155347D+01  0.481770D+00  0.175943D+00
      2   0.441746D+01 -0.885472D+00 -0.407068D+01 -0.146296D+01  0.210065D+00
      3  -0.550572D+01  0.475170D+01  0.378554D+01 -0.216517D+01  0.979763D+00
               246           247           248           249           250 
      1   0.228911D+00 -0.123682D+00 -0.290555D+00 -0.458005D+01 -0.643770D+00
      2   0.596912D+00  0.278685D+00 -0.402582D+01  0.411358D+01  0.245545D+00
      3  -0.807982D+00  0.554377D+00 -0.254964D+02  0.450459D+01 -0.922677D+00
               251           252 
      1  -0.382368D+00  0.570939D+00
      2   0.315672D+01 -0.824459D+00
      3   0.560754D+01 -0.264836D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.281848D+01  0.824504D+01 -0.108572D+02  0.722456D+01 -0.180329D+01
      2   0.159537D+01 -0.604887D+01  0.618680D+01 -0.524764D+01  0.507975D+01
      3   0.122311D+01 -0.219617D+01  0.467037D+01 -0.197692D+01 -0.327647D+01
      4   0.124516D+02 -0.489652D+01  0.410851D+00 -0.692820D+01 -0.988729D+01
      5  -0.320515D+01 -0.451482D+01 -0.135168D+02 -0.655072D+01  0.487805D+01
      6   0.552118D+00  0.637543D+01  0.808959D+01  0.684153D+01 -0.533349D+01
                 6             7             8             9            10 
      1  -0.286445D+00 -0.141114D+02 -0.123425D+01 -0.120249D+02 -0.187557D+01
      2  -0.848478D+00  0.951390D+01  0.142015D+01  0.612607D+01 -0.131108D+01
      3   0.113492D+01  0.459750D+01 -0.185902D+00  0.589882D+01  0.318666D+01
      4   0.753139D+01 -0.718190D+00  0.108267D+02  0.175671D+02 -0.174803D+02
      5   0.758326D+01 -0.199809D+02  0.119328D+02  0.307145D+01 -0.390835D+01
      6  -0.578796D+01  0.127752D+02 -0.721415D+01 -0.621510D+01 -0.744061D+00
                11            12            13            14            15 
      1  -0.107097D+02 -0.269536D+01 -0.143584D+02 -0.667679D+01 -0.185649D+01
      2   0.186904D+01  0.166734D+01  0.570708D+01  0.650883D+01  0.285440D+00
      3   0.884064D+01  0.102802D+01  0.865129D+01  0.167959D+00  0.157105D+01
      4  -0.104408D+02 -0.253743D+01 -0.104551D+02  0.119036D+02 -0.458910D+00
      5   0.179789D+01  0.511731D+01  0.151380D+01 -0.101439D+01 -0.293425D+01
      6  -0.175523D+01  0.919965D+00 -0.774868D+00 -0.859742D+00 -0.155088D+01
                16            17            18            19            20 
      1  -0.329803D+01 -0.426943D+01  0.186450D+02 -0.503800D+01 -0.444394D+01
      2   0.139593D+01 -0.177442D+01  0.249691D+01  0.536749D+01  0.285704D+00
      3   0.190210D+01  0.604385D+01 -0.211419D+02 -0.329486D+00  0.415824D+01
      4  -0.495494D+01 -0.481833D+01 -0.118396D+01  0.373723D+00 -0.220840D+01
      5   0.106590D+02 -0.239701D+01  0.131176D+02 -0.253460D+01  0.725417D+00
      6   0.166867D+01  0.430064D+00  0.111538D+02 -0.293028D+01 -0.140317D+02
                21            22            23            24            25 
      1   0.106442D+02 -0.618386D+01  0.156075D+02 -0.491966D+01  0.141988D+02
      2  -0.154603D+02  0.307069D+01 -0.182370D+02  0.648323D+01 -0.175588D+02
      3   0.481603D+01  0.311317D+01  0.262958D+01 -0.156357D+01  0.336000D+01
      4  -0.192791D+01  0.143189D+01  0.366099D+01 -0.122234D+02 -0.337902D+01
      5  -0.138681D+01  0.104457D+01 -0.610804D+01  0.148992D+00  0.225855D+00
      6   0.611535D+00 -0.127819D+02  0.111083D+02 -0.155130D+02 -0.265712D+01
                26            27            28            29            30 
      1  -0.749617D+01  0.142590D+02 -0.370481D+01 -0.373545D+00 -0.283840D+01
      2   0.955599D+01 -0.191557D+02  0.293193D+01  0.910155D+01  0.842880D+01
      3  -0.205983D+01  0.489673D+01  0.772872D+00 -0.872800D+01 -0.559040D+01
      4  -0.144800D+02 -0.318162D+01 -0.112464D+02 -0.118068D+02  0.117156D+02
      5  -0.485339D+00 -0.348690D+01  0.895505D+01  0.100815D+02 -0.967484D+01
      6  -0.234257D+02  0.816065D+00  0.724232D+01  0.108820D+02 -0.118335D+02
                31            32            33            34            35 
      1   0.773768D+00 -0.574027D+01  0.702045D+01 -0.266593D+01  0.124314D+02
      2   0.515885D+01  0.106253D+02 -0.516231D+01  0.797127D+01 -0.615231D+01
      3  -0.593262D+01 -0.488499D+01 -0.185814D+01 -0.530534D+01 -0.627909D+01
      4  -0.115152D+02 -0.497390D+01  0.545637D+01  0.158856D+02  0.705908D+01
      5   0.767731D+01  0.180436D+01 -0.309197D+01 -0.827918D+01 -0.278287D+01
      6   0.720196D+01  0.143995D+01 -0.496804D+01 -0.860805D+01  0.348048D+00
                36            37            38            39            40 
      1  -0.565134D+01  0.339751D+01  0.132257D+02  0.124879D+02  0.156475D+02
      2   0.782687D+01 -0.903925D+01 -0.870040D+01 -0.615157D+01 -0.827629D+01
      3  -0.217553D+01  0.564175D+01 -0.452529D+01 -0.633634D+01 -0.737118D+01
      4   0.942538D-01  0.122444D+02 -0.170806D+01 -0.907157D+01  0.471154D+00
      5  -0.975718D+00  0.133043D+02 -0.359977D+01  0.590183D+01 -0.268935D+01
      6  -0.105778D+01 -0.174443D+01  0.157798D-01  0.290037D+01  0.264069D+01
                41            42            43            44            45 
      1  -0.137484D+01 -0.233487D+01  0.138483D+02 -0.501718D+01  0.609202D+01
      2  -0.333716D+00  0.578765D+01 -0.690907D+01  0.388759D+01 -0.101155D+01
      3   0.170856D+01 -0.345278D+01 -0.693920D+01  0.112958D+01 -0.508047D+01
      4  -0.415906D+01  0.839194D+01 -0.115855D+02  0.718137D+01 -0.981999D+01
      5   0.104867D+02 -0.647251D+01  0.350916D+01 -0.828475D+01 -0.531848D+01
      6   0.125981D-02  0.479403D+01 -0.156672D+01 -0.567079D+00 -0.135618D+01
                46            47            48            49            50 
      1  -0.836585D+01 -0.415941D-01 -0.244028D+01  0.973877D+00  0.212627D+02
      2   0.545234D+01  0.401990D+01  0.390205D+01  0.967275D+00 -0.328494D+02
      3   0.291351D+01 -0.397830D+01 -0.146177D+01 -0.194115D+01  0.115867D+02
      4   0.344257D+01  0.385144D+01  0.323997D+01  0.332605D+01  0.975053D+00
      5  -0.469458D+01 -0.327272D+01 -0.296917D+01 -0.404081D+01 -0.647496D+01
      6   0.664889D+00  0.708715D+00 -0.385700D+01 -0.266617D+01 -0.358242D+01
                51            52            53            54            55 
      1  -0.577049D+01 -0.842207D+00 -0.159985D+01 -0.406962D-01  0.457619D+01
      2  -0.969943D+00  0.353834D+01 -0.121922D+01  0.851808D+01  0.761372D+01
      3   0.674043D+01 -0.269613D+01  0.281907D+01 -0.847738D+01 -0.121899D+02
      4  -0.330021D+01  0.629889D+01  0.150271D+01  0.108455D+01  0.198293D+01
      5   0.932490D+00 -0.186781D+01  0.127724D+01 -0.139250D+01 -0.593970D+01
      6  -0.184817D-01 -0.444822D-01  0.432729D+01 -0.184006D+01  0.858932D+00
                56            57            58            59            60 
      1  -0.698274D+01 -0.121615D+01 -0.595512D+01 -0.534371D+01  0.656497D+01
      2  -0.810603D+01  0.955053D-01 -0.780804D+01 -0.136106D+01  0.519601D+01
      3   0.150888D+02  0.112065D+01  0.137632D+02  0.670478D+01 -0.117610D+02
      4  -0.153946D+01 -0.195676D+01 -0.842148D+00  0.164209D+01  0.324043D+01
      5   0.132198D+01 -0.132722D+02  0.278409D+01  0.692342D+01  0.100971D+02
      6   0.450571D+01  0.153081D+02  0.732791D+01  0.159369D+01  0.260278D+01
                61            62            63            64            65 
      1  -0.284643D+01  0.128842D+01 -0.308779D+01  0.989247D+01 -0.419744D+01
      2  -0.157506D+01  0.714390D+01 -0.193260D+01 -0.513144D+01  0.456524D+00
      3   0.442149D+01 -0.843232D+01  0.502038D+01 -0.476103D+01  0.374092D+01
      4  -0.611988D+01  0.153666D+00  0.398423D+01 -0.141587D+02  0.111702D+02
      5  -0.888861D+01  0.744132D+01  0.158642D+01 -0.114689D+02  0.627457D+01
      6   0.107158D+02 -0.116016D+01 -0.614557D+01  0.722895D+01 -0.604235D+01
                66            67            68            69            70 
      1  -0.370476D+01 -0.279960D+01 -0.325320D+01 -0.182514D+01 -0.590230D+01
      2   0.265918D+01 -0.884595D+00  0.750991D+01  0.270128D+01  0.475431D+01
      3   0.104559D+01  0.368420D+01 -0.425672D+01 -0.876146D+00  0.114799D+01
      4   0.817831D+01  0.129279D+02 -0.126518D+02 -0.103438D+02  0.131015D+02
      5   0.122187D+02  0.633598D+01 -0.863132D+01 -0.777126D+01  0.170678D+02
      6  -0.698139D+01 -0.692274D+01  0.103501D+02  0.100691D+02 -0.112810D+02
                71            72            73            74            75 
      1  -0.190704D+01 -0.295514D-01 -0.186441D+02  0.178707D+02  0.183527D+02
      2   0.263733D+01 -0.588376D+01  0.204913D+02 -0.565136D+01 -0.113225D+02
      3  -0.730297D+00  0.591331D+01 -0.184714D+01 -0.122194D+02 -0.703028D+01
      4  -0.144324D+02 -0.147726D+02  0.223920D+02  0.148631D+02 -0.116334D+00
      5  -0.108230D+02 -0.194034D+02  0.212153D+02 -0.468884D+01 -0.150890D+02
      6   0.129283D+02  0.169096D+02  0.396455D+01 -0.516451D+00 -0.396345D+01
                76            77            78            79            80 
      1   0.295820D+02  0.213481D+02 -0.930420D+01  0.226311D+02 -0.597363D+01
      2  -0.169706D+02 -0.293455D+02  0.110739D+02 -0.110050D+02  0.101913D+02
      3  -0.126114D+02  0.799739D+01 -0.176969D+01 -0.116261D+02 -0.421768D+01
      4   0.105926D+02 -0.248341D+02  0.906808D+01  0.331816D+01  0.101773D+02
      5  -0.599274D+01  0.105326D+02  0.372520D+01 -0.212106D+02  0.280328D+00
      6   0.238084D+00  0.121149D+02 -0.734219D+00 -0.622379D+01 -0.147540D+01
                81            82            83            84            85 
      1  -0.162663D+02 -0.135087D+01  0.221311D+01 -0.260185D+01  0.199269D+01
      2   0.115050D+02 -0.273813D+01 -0.596031D+00  0.150017D+00 -0.763792D+00
      3   0.476130D+01  0.408900D+01 -0.161708D+01  0.245183D+01 -0.122890D+01
      4  -0.299128D+01  0.161356D+01  0.282952D+01 -0.861005D+00  0.395503D+01
      5  -0.256580D+02 -0.299763D-01 -0.650102D+00  0.498393D+01 -0.734700D+00
      6  -0.125380D+02 -0.132982D+01  0.387668D+00 -0.726686D+00  0.240454D+00
                86            87            88            89            90 
      1  -0.343945D+01  0.301142D+01 -0.454885D+01  0.320480D+01 -0.195851D+02
      2   0.811908D+00 -0.575705D+00  0.937904D+00  0.116530D+01 -0.127392D+02
      3   0.262754D+01 -0.243571D+01  0.361094D+01 -0.437010D+01  0.323243D+02
      4   0.569153D+00 -0.251674D+01 -0.257132D+01 -0.404762D+01  0.190929D+01
      5  -0.227640D+01  0.250637D+01  0.456683D+01  0.326416D+01 -0.168514D+02
      6  -0.349647D+01  0.741734D+01  0.138684D+00  0.631024D+01 -0.115189D+02
                91            92            93            94            95 
      1   0.143319D+02  0.313459D+01 -0.187089D+01  0.983763D+00 -0.358320D+01
      2  -0.757991D+01  0.906534D+00  0.253085D+01  0.221438D+01  0.913465D+01
      3  -0.675196D+01 -0.404112D+01 -0.659958D+00 -0.319814D+01 -0.555144D+01
      4   0.216315D+02  0.171122D+02 -0.108214D+02  0.148516D+02  0.156219D+02
      5  -0.184050D+02 -0.109872D+02  0.144362D+02 -0.857373D+01 -0.909991D+01
      6  -0.116109D+02 -0.105826D+02  0.959110D+01 -0.917163D+01 -0.127686D+02
                96            97            98            99           100 
      1   0.177958D+01 -0.106228D+01  0.148580D+01 -0.230865D+01 -0.223401D+01
      2  -0.132573D+01  0.220612D+01 -0.776167D-01 -0.474342D+01  0.421584D+01
      3  -0.453853D+00 -0.114384D+01 -0.140819D+01  0.705207D+01 -0.198183D+01
      4  -0.833907D+01 -0.929464D+01 -0.804577D+01  0.886817D+01 -0.181640D+02
      5   0.661467D+01  0.127604D+02  0.814680D+01 -0.111863D+02 -0.139307D+02
      6   0.962697D+01  0.890126D+01  0.966267D+01 -0.108246D+02 -0.158308D+02
               101           102           103           104           105 
      1  -0.187532D+02 -0.128085D+02 -0.220280D+02  0.241908D+01 -0.740244D+01
      2   0.434597D+01  0.283220D+01  0.520236D+01  0.858433D+01 -0.655517D+01
      3   0.144072D+02  0.997634D+01  0.168257D+02 -0.110034D+02  0.139576D+02
      4  -0.786170D+01 -0.185307D+01 -0.102446D+02  0.260032D+01 -0.132919D+02
      5  -0.110891D+02 -0.743325D+01 -0.111633D+02 -0.146965D+02  0.985710D+01
      6  -0.573259D+01  0.290416D+01 -0.868109D+01  0.648624D+01 -0.182707D+02
               106           107           108           109           110 
      1  -0.107256D+02 -0.322439D+01 -0.297794D+01 -0.202189D+02 -0.286160D+02
      2   0.238219D+01 -0.663515D+01 -0.566959D+01  0.150728D+02  0.170490D+02
      3   0.834346D+01  0.985955D+01  0.864753D+01  0.514600D+01  0.115670D+02
      4   0.258053D+01 -0.929377D+01  0.102202D+02 -0.274057D+02 -0.147686D+01
      5  -0.588574D+01  0.108301D+02  0.712398D+01 -0.102695D+02  0.702284D+01
      6   0.674720D+01 -0.125267D+02  0.127976D+02  0.578184D+01 -0.289420D+01
               111           112           113           114           115 
      1  -0.953131D+01 -0.372438D+02 -0.312744D+01  0.196463D+01 -0.109331D+02
      2   0.232504D+01  0.236194D+02 -0.647644D+01  0.632546D+01  0.100732D+01
      3   0.720627D+01  0.136244D+02  0.960388D+01 -0.829009D+01  0.992580D+01
      4   0.770954D+01 -0.868081D+01  0.152589D+02 -0.146211D+02  0.992655D+01
      5   0.177131D+01  0.852049D+01 -0.133970D+02  0.141350D+02 -0.170926D+01
      6   0.215444D-01 -0.423772D+01  0.861414D+01 -0.788273D+01  0.335941D+01
               116           117           118           119           120 
      1   0.230865D+01  0.714014D+01 -0.180225D-01  0.150744D+01 -0.307302D+00
      2   0.793780D+01 -0.632528D+01  0.385738D+01 -0.214741D+01 -0.547514D+00
      3  -0.102464D+02 -0.814855D+00 -0.383936D+01  0.639976D+00  0.854817D+00
      4  -0.156236D+02  0.154744D+02 -0.140876D+00  0.898212D+01 -0.982943D+00
      5   0.164341D+02  0.201891D+02  0.508079D+00  0.356962D+00  0.247956D+01
      6  -0.791246D+01 -0.881903D+01  0.129693D+00 -0.264959D+00 -0.414179D-01
               121           122           123           124           125 
      1   0.342575D+00 -0.279535D+02 -0.414902D+00 -0.577166D+00  0.205101D+00
      2   0.122235D+01  0.511678D+02 -0.554142D+00 -0.716527D+00 -0.156352D+01
      3  -0.156493D+01 -0.232143D+02  0.969044D+00  0.129369D+01  0.135841D+01
      4   0.813294D+01  0.128292D+01  0.265420D+00 -0.168853D+01 -0.495901D+00
      5   0.234728D+00  0.121572D+01  0.169889D+00  0.199821D+01  0.524058D-01
      6   0.358759D+00  0.490831D+01  0.672109D+01  0.566539D+00  0.742143D+01
               126           127           128           129           130 
      1  -0.398763D+01 -0.114101D+01  0.205953D+01  0.625490D+01  0.225517D+01
      2   0.337993D+01 -0.660744D+01  0.286944D+01  0.784653D+01  0.161766D+01
      3   0.607699D+00  0.774846D+01 -0.492896D+01 -0.141014D+02 -0.387283D+01
      4   0.229812D+00 -0.416047D+01  0.347636D+01  0.357070D+01  0.392063D+01
      5   0.937610D+00 -0.872256D+01  0.402844D+01  0.118245D+02  0.406325D+01
      6   0.503317D+00  0.515660D+01 -0.613747D+01 -0.744100D+01 -0.555959D+01
               131           132           133           134           135 
      1  -0.583193D+01 -0.883575D+01  0.311682D+01 -0.632552D+01 -0.169284D+02
      2   0.162257D+00 -0.382590D+01  0.538303D+01 -0.390819D+01 -0.148662D+02
      3   0.566967D+01  0.126617D+02 -0.849986D+01  0.102337D+02  0.317945D+02
      4  -0.347743D+01 -0.323331D+01  0.338142D+01 -0.290527D+01 -0.416117D+01
      5  -0.483811D+01 -0.521942D+01  0.103393D+02 -0.499806D+01 -0.120721D+02
      6   0.106118D+02  0.122977D+02 -0.577175D+01  0.987394D+01  0.147255D+02
               136           137           138           139           140 
      1   0.207873D+01  0.161568D+01 -0.601203D+01  0.144992D+01 -0.154615D+01
      2  -0.106227D+02  0.135508D+01 -0.109925D+02  0.230832D+01  0.581160D+00
      3   0.854396D+01 -0.297076D+01  0.170045D+02 -0.375825D+01  0.964991D+00
      4   0.725730D+00  0.383612D+01 -0.221437D+00  0.331142D+01 -0.852217D+00
      5   0.186869D+02 -0.190939D+01  0.169773D+02 -0.364501D+01  0.246918D+01
      6  -0.235787D+01  0.417436D+01 -0.325789D+01  0.283945D+01 -0.371390D+01
               141           142           143           144           145 
      1   0.197613D+01 -0.214002D+01  0.665470D+00 -0.829693D+01 -0.700232D+01
      2   0.172311D+01 -0.740648D+01 -0.150294D+00 -0.114919D+02  0.150929D+01
      3  -0.369924D+01  0.954650D+01 -0.515176D+00  0.197888D+02  0.549304D+01
      4   0.112804D+01  0.295434D+00  0.144921D+01 -0.549163D+00  0.156984D+01
      5  -0.413232D+01  0.130663D+02 -0.208368D+01  0.133573D+02 -0.908729D+01
      6   0.534160D+01 -0.243972D+01  0.448848D+01 -0.168821D+01  0.604762D+01
               146           147           148           149           150 
      1   0.767299D+01  0.108783D+02  0.773707D+01 -0.771598D+01 -0.693833D+01
      2  -0.190406D+01  0.298929D+01 -0.254352D+01  0.183521D+01  0.149319D+00
      3  -0.576893D+01 -0.138676D+02 -0.519355D+01  0.588076D+01  0.678901D+01
      4   0.504032D+00 -0.875981D+00  0.225872D+01  0.889855D+00  0.277277D+01
      5   0.372361D+01  0.174540D+01  0.550391D+01 -0.442134D-01 -0.969243D+00
      6  -0.587863D+01 -0.590534D+01 -0.363675D+01  0.724142D+01  0.864757D+01
               151           152           153           154           155 
      1   0.720670D+01 -0.606238D+01 -0.102942D+02  0.272240D+02  0.946769D+01
      2   0.582838D+00  0.165857D+01 -0.358152D+01 -0.156754D+02 -0.302835D+01
      3  -0.778954D+01  0.440381D+01  0.138757D+02 -0.115486D+02 -0.643935D+01
      4  -0.337875D+00  0.137748D+01  0.473833D-01  0.184513D+02  0.143537D+02
      5   0.528782D+01 -0.246406D+01 -0.250521D+01  0.267964D+02  0.120195D+02
      6  -0.485169D+01  0.742094D+01  0.588644D+01  0.116429D+02  0.970599D+01
               156           157           158           159           160 
      1   0.544425D+01  0.119716D+02  0.393360D+01  0.143519D+01  0.466466D+00
      2  -0.853505D+01 -0.445490D+01  0.384413D+00 -0.295849D+01 -0.375001D+01
      3   0.309080D+01 -0.751666D+01 -0.431801D+01  0.152330D+01  0.328355D+01
      4   0.675920D+01  0.157358D+02  0.141035D+02  0.752293D+01  0.209081D+01
      5   0.175419D+02  0.145241D+02  0.109622D+02  0.880060D+01  0.966251D+01
      6   0.579116D+01  0.988162D+01  0.954363D+01  0.881840D+01  0.337276D+01
               161           162           163           164           165 
      1   0.196376D-01  0.162747D+01  0.167243D+01 -0.364171D+00  0.301996D+01
      2  -0.109562D+01 -0.373552D+01 -0.322246D+01  0.169346D+01 -0.396963D+01
      3   0.107598D+01  0.210805D+01  0.155003D+01 -0.132929D+01  0.949671D+00
      4   0.276978D+01  0.313750D+01 -0.173593D+01  0.519034D+01 -0.264441D+01
      5   0.389825D+01  0.670829D+01  0.699171D+01 -0.335703D+01  0.855790D+01
      6   0.534236D+01  0.264492D+01 -0.228141D+01  0.281861D+01 -0.232879D+01
               166           167           168           169           170 
      1  -0.503828D+00 -0.778064D+01  0.104143D+02  0.128564D+01  0.627390D+01
      2   0.336386D+01 -0.234561D-01  0.800570D+01 -0.454777D+01  0.489835D+01
      3  -0.286003D+01  0.780409D+01 -0.184200D+02  0.326213D+01 -0.111723D+02
      4   0.758297D+01 -0.130085D+02  0.993450D+01 -0.308455D+01  0.676588D+01
      5  -0.860074D+01  0.105251D+02 -0.153697D+02  0.906182D+01 -0.820458D+01
      6   0.621684D+01 -0.209627D+02  0.190845D+02 -0.379892D+01  0.138236D+02
               171           172           173           174           175 
      1  -0.113562D+02  0.350316D+01  0.102323D+01 -0.265556D+01  0.141123D+01
      2  -0.111338D+02 -0.308944D+01 -0.437318D-01  0.254137D+01 -0.177289D+01
      3   0.224900D+02 -0.413722D+00 -0.979499D+00  0.114186D+00  0.361664D+00
      4  -0.773299D+01  0.447573D+00  0.164168D+01  0.226643D+01  0.552481D+01
      5   0.145741D+02 -0.359564D+01  0.147530D+01  0.509368D+01  0.253985D+01
      6  -0.152584D+02  0.168910D+01 -0.327913D+00 -0.140662D+01 -0.149257D+01
               176           177           178           179           180 
      1  -0.179545D+01 -0.295514D+01 -0.861220D+01 -0.201256D+01 -0.619517D+01
      2   0.349508D+01  0.138051D+01  0.541049D+01  0.176241D+01 -0.513351D+01
      3  -0.169964D+01  0.157463D+01  0.320171D+01  0.250153D+00  0.113287D+02
      4  -0.801344D+01 -0.521660D+01  0.705136D+01 -0.893373D+01 -0.113583D+02
      5  -0.523122D+01 -0.958394D+01  0.120008D+02 -0.118790D+02 -0.330034D+02
      6   0.495596D+01  0.913162D+01 -0.434845D+01  0.998596D+01  0.168224D+02
               181           182           183           184           185 
      1   0.857530D+01 -0.375747D+01  0.380074D+01 -0.580069D+01 -0.307063D+01
      2  -0.169751D+01 -0.761271D+00 -0.789876D+00 -0.485256D+01  0.225283D+02
      3  -0.687779D+01  0.451874D+01 -0.301086D+01  0.106533D+02 -0.194576D+02
      4  -0.693145D+01  0.109193D+02 -0.489109D+01  0.211400D+02 -0.361147D+02
      5   0.421959D+01 -0.380820D+01  0.338699D+01 -0.597083D+01  0.115129D+02
      6  -0.291511D+01  0.133587D+01 -0.839936D+00  0.366204D+01 -0.947125D+01
               186           187           188           189           190 
      1   0.147769D+01  0.870334D+01  0.815503D+00 -0.204957D+01  0.658226D+02
      2  -0.671898D+01 -0.131301D+01 -0.856576D+01  0.312110D+01 -0.358513D+02
      3   0.524129D+01 -0.739032D+01  0.775026D+01 -0.107153D+01 -0.299713D+02
      4   0.122693D+02 -0.120083D+02  0.176485D+02 -0.110810D+02  0.787104D+01
      5  -0.116417D+02  0.725423D+01 -0.112676D+02  0.969986D+01 -0.774524D+00
      6   0.904983D+01 -0.430564D+01  0.929920D+01 -0.769443D+01 -0.153209D+01
               191           192           193           194           195 
      1   0.160000D+02  0.191393D+01  0.341116D+02  0.114823D+02  0.571265D+00
      2  -0.102488D+02 -0.771697D+00 -0.188877D+02 -0.485360D+01 -0.938195D+00
      3  -0.575120D+01 -0.114223D+01 -0.152239D+02 -0.662872D+01  0.366930D+00
      4   0.114577D+02  0.191156D-01  0.125832D+02  0.106015D+02  0.213129D+01
      5  -0.576367D+00  0.852407D+01 -0.165639D+01  0.137841D+01  0.494922D+01
      6  -0.645894D+00 -0.908745D+00 -0.734238D+00 -0.159891D+01  0.141946D+01
               196           197           198           199           200 
      1   0.580054D+01  0.332652D+00  0.518633D+01  0.237627D+02 -0.341895D+01
      2  -0.252857D+01 -0.145642D+01 -0.356084D+01 -0.123303D+02 -0.455147D-01
      3  -0.327197D+01  0.112377D+01 -0.162548D+01 -0.114324D+02  0.346446D+01
      4  -0.826809D+00  0.305713D+01  0.375712D+00 -0.143394D+02  0.969301D+01
      5   0.930139D+01  0.114400D+01  0.646269D-01  0.130234D+02 -0.227116D+01
      6  -0.385675D+00  0.189435D+01  0.855671D+00 -0.488906D+01  0.903420D+00
               201           202           203           204           205 
      1   0.100631D+02 -0.483619D+00  0.250929D+01  0.572670D+00  0.164139D+02
      2  -0.579237D+01 -0.117589D+01 -0.736466D+00 -0.105780D+01 -0.975333D+01
      3  -0.427071D+01  0.165950D+01 -0.177282D+01  0.485131D+00 -0.666062D+01
      4  -0.612631D+01  0.740746D+01 -0.270109D+01  0.313239D+01 -0.965238D+01
      5   0.112560D+02 -0.492805D+00  0.311794D+01 -0.214456D+01  0.137110D+02
      6  -0.461111D+01  0.155871D+01 -0.164063D+01  0.358789D+01 -0.625724D+01
               206           207           208           209           210 
      1  -0.249724D-01  0.710552D+01 -0.129360D+01  0.466276D+01 -0.280443D+01
      2  -0.215361D+01 -0.666485D+01  0.466194D+01 -0.860422D+01  0.390976D+01
      3   0.217858D+01 -0.440667D+00 -0.336834D+01  0.394146D+01 -0.110533D+01
      4   0.711235D+01 -0.917383D+01 -0.660228D+01  0.113788D+02 -0.460465D+01
      5  -0.504127D+01  0.132124D+02  0.216992D+01 -0.354197D+01  0.402968D+01
      6   0.393630D+01 -0.602185D+01 -0.498272D+01  0.678535D+01 -0.368819D+01
               211           212           213           214           215 
      1   0.311121D+01 -0.287250D+02  0.121820D+02 -0.340897D+01  0.189863D+02
      2  -0.640239D+01  0.437421D+02 -0.155363D+02  0.522793D+01 -0.238453D+02
      3   0.329118D+01 -0.150171D+02  0.335425D+01 -0.181896D+01  0.485904D+01
      4   0.789717D+01 -0.112106D+02  0.551533D+01 -0.514988D+01  0.820083D+01
      5  -0.222265D+01  0.444934D+01 -0.250851D+01  0.367259D+01 -0.438841D+01
      6   0.510238D+01 -0.241951D+02  0.172462D+02 -0.380264D+01  0.242340D+02
               216           217           218           219           220 
      1  -0.149118D+02 -0.126478D+01 -0.510396D+01 -0.341483D+01 -0.288233D+01
      2   0.125777D+02  0.337888D+01  0.103055D+02  0.523302D+01  0.564676D+01
      3   0.233404D+01 -0.211410D+01 -0.520157D+01 -0.181819D+01 -0.276443D+01
      4  -0.447078D+01  0.775363D+01  0.799968D+01  0.513415D+01  0.582406D+01
      5   0.410283D+01  0.276638D+01  0.200374D+01  0.363744D+01  0.161703D+01
      6  -0.195298D+02  0.577151D+01  0.590418D+01  0.501354D+01  0.499950D+01
               221           222           223           224           225 
      1  -0.157083D+02 -0.645016D+01 -0.554373D+01 -0.117111D+02 -0.112832D+02
      2   0.247025D+02  0.885549D+01  0.562758D+01  0.162860D+02  0.109484D+02
      3  -0.899422D+01 -0.240534D+01 -0.838474D-01 -0.457493D+01  0.334776D+00
      4   0.630278D+01  0.415336D+01  0.659345D+01  0.539552D+01  0.473893D+01
      5   0.190154D+01  0.134377D+01  0.353832D+01  0.179719D+01  0.283555D+01
      6   0.110730D+02  0.124338D+02  0.594226D+01  0.168131D+02  0.166656D+02
               226           227           228           229           230 
      1   0.975382D+01 -0.779638D+00  0.526068D+01 -0.513412D+01 -0.216221D+01
      2  -0.756631D+01  0.437479D+00 -0.364660D+01  0.346858D+01  0.298180D+01
      3  -0.218751D+01  0.342159D+00 -0.161408D+01  0.166555D+01 -0.819592D+00
      4   0.145339D+01  0.126428D+01  0.298768D+01  0.177311D+01  0.312418D+01
      5   0.623919D+01  0.164782D+01  0.118041D+02  0.669644D+00  0.321499D+01
      6   0.257072D+01  0.766699D+00  0.349527D+01  0.117166D+01  0.559053D+00
               231           232           233           234           235 
      1  -0.463899D-01  0.139689D+02  0.153076D+01  0.522249D+01  0.651462D+02
      2   0.990362D+00 -0.824106D+01  0.143494D+01 -0.114612D+02 -0.379928D+02
      3  -0.943972D+00 -0.572784D+01 -0.296570D+01  0.623869D+01 -0.271534D+02
      4   0.369691D+01  0.906610D+01  0.944790D+01  0.562907D+01  0.609935D+01
      5  -0.225596D+00  0.178187D+02  0.397158D+01  0.372568D+02 -0.252138D+02
      6   0.359324D+01  0.597234D+01  0.517508D+01  0.164777D+02 -0.411910D+01
               236           237           238           239           240 
      1  -0.666802D+01 -0.183482D+02 -0.216054D+02  0.478622D+01  0.562150D+01
      2   0.567131D+01  0.125356D+02  0.134306D+02 -0.154583D+01 -0.523890D+01
      3   0.996717D+00  0.581259D+01  0.817481D+01 -0.324039D+01 -0.382601D+00
      4   0.868465D+01 -0.139060D+01  0.562075D+01 -0.334120D+01 -0.399018D+01
      5   0.230546D+01  0.175433D+02  0.757416D+01 -0.504285D+01 -0.650168D+01
      6  -0.974534D+00  0.374137D+01 -0.533814D+00 -0.210112D+00  0.549640D+00
               241           242           243           244           245 
      1  -0.257769D+02  0.236655D+01  0.126805D+02  0.882258D+00  0.540183D+01
      2   0.172005D+02 -0.389763D+01 -0.118439D+02  0.148277D+01 -0.442539D+01
      3   0.857638D+01  0.153108D+01 -0.836533D+00 -0.236503D+01 -0.976441D+00
      4  -0.375063D+01 -0.706802D+01  0.890844D+00  0.177890D+01  0.388417D+01
      5   0.213996D+02 -0.185591D+01 -0.132334D+02 -0.248627D+01 -0.547062D+00
      6   0.391307D+01  0.221303D+01 -0.142429D+01 -0.203408D+01  0.514787D+00
               246           247           248           249           250 
      1  -0.320091D+01  0.546530D+01 -0.208193D+02  0.476770D+01 -0.505175D+01
      2   0.173975D+01  0.293269D+01  0.441323D+02 -0.672966D+01  0.175863D+01
      3   0.146117D+01 -0.839799D+01 -0.233129D+02  0.196196D+01  0.329312D+01
      4  -0.113736D+01  0.166335D+02  0.466062D+02 -0.806566D+01 -0.446731D+01
      5   0.176077D+01 -0.226918D+01 -0.851769D+01  0.770297D+01  0.515731D+01
      6  -0.596647D+00 -0.247889D+01 -0.127971D+02  0.954315D+01  0.218725D+01
               251           252 
      1   0.496271D+01 -0.218291D+01
      2  -0.746551D+01  0.293424D+01
      3   0.250280D+01 -0.751338D+00
      4  -0.998099D+01  0.622524D+01
      5   0.640268D+01 -0.214144D+01
      6   0.950701D+01 -0.435522D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114213D+03      0.169247D+02      0.188312D+02
   aniso      0.154473D+02      0.228905D+01      0.254691D+01
   xx         0.124237D+03      0.184100D+02      0.204839D+02
   yx        -0.824937D-01     -0.122243D-01     -0.136014D-01
   yy         0.111154D+03      0.164713D+02      0.183268D+02
   zx         0.609555D+00      0.903268D-01      0.100502D+00
   zy        -0.286799D-01     -0.424993D-02     -0.472868D-02
   zz         0.107250D+03      0.158928D+02      0.176831D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114213D+03      0.169247D+02      0.188312D+02
   aniso      0.154473D+02      0.228905D+01      0.254691D+01
   xx         0.124226D+03      0.184084D+02      0.204821D+02
   yx        -0.526111D+00     -0.779617D-01     -0.867440D-01
   yy         0.109488D+03      0.162244D+02      0.180521D+02
   zx         0.537026D+00      0.795790D-01      0.885436D-01
   zy         0.192599D+01      0.285403D+00      0.317553D+00
   zz         0.108927D+03      0.161413D+02      0.179596D+02

 ----------------------------------------------------------------------
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 0000152,-0.00000217,-0.00000011,0.00000072,0.00000113,-0.00000037\\\@


 Spring appears, and we are once more children.
                                  -- Anonymous
 Job cpu time:       0 days  4 hours  7 minutes  9.0 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 51.1 seconds.
 File lengths (MBytes):  RWF=    382 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:09:42 2021.
